CAS 1323-00-8|SANTALYL ACETATE|2-methyl-5-{2-methyl-3-methylidenebicyclo[2.2.1]heptan-2-yl}pent-2-en-1-yl acetate 5-{2,3-dimethyltricyclo[2.2.1.0^{2,6}]heptan-3-yl}-2-methylpent-2-en-1-yl acetate|2-...

General Information

Structure

Molecular Formula

C₃₄H₅₂O₄

Molecular Mass

524.77428

Exact Mass

524.38656014

Charge

InChI

InChI=1S/2C17H26O2/c1-11(10-19-12(2)18)6-5-7-16(3)13-8-14-15(9-13)17(14,16)4;1-12(11-19-14(3)18)6-5-9-17(4)13(2)15-7-8-16(17)10-15/h6,13-15H,5,7-10H2,1-4H3;6,15-16H,2,5,7-11H2,1,3-4H3

InChIKey

ZUPBLUYKASBIGF-UHFFFAOYSA-N

Canonic Smiles

C/C(=C\CCC1(C)C2CC3C1(C)C3C2)/COC(=O)C.C/C(=C\CCC1(C)C2CCC(C1=C)C2)/COC(=O)C

Isomeric Smiles

CC(=O)OC/C(=C/CCC1(C)C2CCC(C2)C1=C)/C.CC(=O)OC/C(=C/CCC1(C)C2CC3C(C2)C13C)/C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.6796637

LogD (pH = 7.4)

3.6796637

Log P

3.6796637

Molar Refractivity

78.3786

Polarizability

30.87284

Polar Surface Area

26.3

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

2-methyl-5-{2-methyl-3-methylidenebicyclo[2.2.1]heptan-2-yl}pent-2-en-1-yl acetate 5-{2,3-dimethyltricyclo[2.2.1.0^{2,6}]heptan-3-yl}-2-methylpent-2-en-1-yl acetate

Synonyms

SANTALYL ACETATE

IUPAC Traditional name

2-methyl-5-{2-methyl-3-methylidenebicyclo[2.2.1]heptan-2-yl}pent-2-en-1-yl acetate 5-{2,3-dimethyltricyclo[2.2.1.0^{2,6}]heptan-3-yl}-2-methylpent-2-en-1-yl acetate

Names and Identifiers

Registration numbers

CAS Number

1323-00-8

PubChem SID

162096794

PubChem CID

71299776

Registration numbers

Properties

Product Information

Certificate of Analysis