CAS 2216-52-6|CAS 3623-51-6|D-Neomenthol|(+)-新薄荷醇|D-新薄荷醇|(1S,2S,5R)-(+)-新薄荷醇|[1S-(1β,2β,5α)]-5-Methyl-2-(1-methylethyl)cyclohexanol|[1S-(1β,2β,5α)]-5-甲基-2-(1-甲基乙基)环己醇|(1S,...

General Information

Structure

Molecular Formula

C₁₀H₂₀O

Molecular Mass

156.2652

Exact Mass

156.15141526

Charge

InChI

InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10+/m1/s1

InChIKey

NOOLISFMXDJSKH-UTLUCORTSA-N

Canonic Smiles

C[C@@H]1CC[C@H]([C@H](C1)O)C(C)C

Isomeric Smiles

C[C@@H]1CC[C@H]([C@H](C1)O)C(C)C

Calculated Properties

JChem

LogD (pH = 7.4)

2.66

LogD (pH = 5.5)

2.66

Log P

2.66

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

-0.81

Polar Surface Area

20.23

Polarizability

19.40

Molar Refractivity

47.45

LOG S

-2.84

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

D-Neomenthol(+)-新薄荷醇D-新薄荷醇(1S,2S,5R)-(+)-新薄荷醇[1S-(1β,2β,5α)]-5-Methyl-2-(1-methylethyl)cyclohexanol[1S-(1β,2β,5α)]-5-甲基-2-(1-甲基乙基)环己醇(1S,2S,5R)-(+)-Neomenthol(1S,2S,5R)-2-Isopropyl-5-methylcyclohexanolD-新薄荷醇(+)-Neomenthol(1S,2S,5R)-2-异丙基-5-甲基环己醇D-Neomenthol(1S,2S,5R)-(+)-新薄荷醇(±)-Neomenthol(1S,2S,5R)-(+)-Neomenthol(+)-新薄荷醇(+)-Neomenthol(±)-新薄荷醇(+)-neomenthol(+)-neomenthol(+)-Neomenthol

IUPAC name

(1S,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol

IUPAC Traditional name

(+)-neomenthol

Names and Identifiers

Registration numbers

FEMA ID

2666

Beilstein Number

20374883194261

MDL Number

MFCD00062980MFCD00062981