CAS 464-45-9|CAS 507-70-0|CAS 464-43-7|(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol|冰片|Borneol|L-borneol|L-(-)-BORNEOL|(-)-Borneol|endo-(1S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol|内型-(1...

General Information

Structure

Molecular Formula

C₁₀H₁₈O

Molecular Mass

154.24932

Exact Mass

154.1357652

Charge

InChI

InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m0/s1

InChIKey

DTGKSKDOIYIVQL-QXFUBDJGSA-N

Canonic Smiles

O[C@@H]1C[C@H]2C([C@]1(C)CC2)(C)C

Isomeric Smiles

CC1(C)[C@@]2(CC[C@H]1C[C@H]2O)C

Calculated Properties

JChem

LogD (pH = 7.4)

1.99

LogD (pH = 5.5)

1.99

Log P

1.99

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

-0.78

Polar Surface Area

20.23

Polarizability

18.48

Molar Refractivity

45.31

LOG S

-1.77

Data Source

Names and Identifiers

IUPAC name

(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

Synonyms

冰片BorneolL-(-)-BORNEOL(-)-Borneolendo-(1S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol内型-(1S)-1,7,7-三甲基二环[2.2.1]庚-2-醇2-茨醇(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol(1R,2S,4R)-(+)-Borneol(+)-BorneolL-Borneol(1S,2R,4S)-borneoll-borneolD-borneolBorneocamphor(-)-borneol(1R,2S,4R)-borneold-BorneolLinderolL-borneol(1S-endo)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol(1R-endo)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-olSumatra camphor(1S,2R,4S)-(-)-borneol(-)-Borneol(1S,2R,4S)-(-)-Borneol(+)-borneolendo-2-Bornanold-borneol

IUPAC Traditional name

L-borneol (-)-borneol (+)-borneol

Names and Identifiers

Registration numbers

CAS Number

464-45-9507-70-0464-43-7

EC Number

207-353-1208-080-0

PubChem SID

1620902662489202824855169248483912484958681431518143152

PubChem CID

12015186552009