(8S)-14-hydroxy-7,7,13-trimethyltricyclo[9.4.0.03,8]pentadeca-1(11),2,12,14-tetraen-6-one

C18H22O2 — CID 44627152

IUPAC(8S)-14-hydroxy-7,7,13-trimethyltricyclo[9.4.0.03,8]pentadeca-1(11),2,12,14-tetraen-6-one
SMILESCc1cc2c(cc1O)C=C1CCC(=O)C(C)(C)[C@H]1CC2
InChIInChI=1S/C18H22O2/c1-11-8-12-4-6-15-13(9-14(12)10-16(11)19)5-7-17(20)18(15,2)3/h8-10,15,19H,4-7H2,1-3H3/t15-/m0/s1
InChIKeySNPJTHCQJKHNCV-HNNXBMFYSA-N
MW270.37 g/mol
LogP4.04
Rot. Bonds

About (8S)-14-hydroxy-7,7,13-trimethyltricyclo[9.4.0.03,8]pentadeca-1(11),2,12,14-tetraen-6-one

(8S)-14-hydroxy-7,7,13-trimethyltricyclo[9.4.0.03,8]pentadeca-1(11),2,12,14-tetraen-6-one (PubChem CID 44627152) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is (8S)-14-hydroxy-7,7,13-trimethyltricyclo[9.4.0.03,8]pentadeca-1(11),2,12,14-tetraen-6-one.

Molecular Properties

Compound Name(8S)-14-hydroxy-7,7,13-trimethyltricyclo[9.4.0.03,8]pentadeca-1(11),2,12,14-tetraen-6-one
PubChem CID44627152
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name(8S)-14-hydroxy-7,7,13-trimethyltricyclo[9.4.0.03,8]pentadeca-1(11),2,12,14-tetraen-6-one
SMILESCc1cc2c(cc1O)C=C1CCC(=O)C(C)(C)[C@H]1CC2
InChIInChI=1S/C18H22O2/c1-11-8-12-4-6-15-13(9-14(12)10-16(11)19)5-7-17(20)18(15,2)3/h8-10,15,19H,4-7H2,1-3H3/t15-/m0/s1
InChIKeySNPJTHCQJKHNCV-HNNXBMFYSA-N
XLogP4.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (8S)-14-hydroxy-7,7,13-trimethyltricyclo[9.4.0.03,8]pentadeca-1(11),2,12,14-tetraen-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8S)-14-hydroxy-7,7,13-trimethyltricyclo[9.4.0.03,8]pentadeca-1(11),2,12,14-tetraen-6-one?
The IUPAC name of (8S)-14-hydroxy-7,7,13-trimethyltricyclo[9.4.0.03,8]pentadeca-1(11),2,12,14-tetraen-6-one (CID 44627152) is (8S)-14-hydroxy-7,7,13-trimethyltricyclo[9.4.0.03,8]pentadeca-1(11),2,12,14-tetraen-6-one.
What is the SMILES notation for (8S)-14-hydroxy-7,7,13-trimethyltricyclo[9.4.0.03,8]pentadeca-1(11),2,12,14-tetraen-6-one?
The canonical SMILES for (8S)-14-hydroxy-7,7,13-trimethyltricyclo[9.4.0.03,8]pentadeca-1(11),2,12,14-tetraen-6-one is Cc1cc2c(cc1O)C=C1CCC(=O)C(C)(C)[C@H]1CC2.
What is the InChIKey of (8S)-14-hydroxy-7,7,13-trimethyltricyclo[9.4.0.03,8]pentadeca-1(11),2,12,14-tetraen-6-one?
The InChIKey is SNPJTHCQJKHNCV-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22O2/c1-11-8-12-4-6-15-13(9-14(12)10-16(11)19)5-7-17(20)18(15,2)3/h8-10,15,19H,4-7H2,1-3H3/t15-/m0/s1.
What are the key properties of (8S)-14-hydroxy-7,7,13-trimethyltricyclo[9.4.0.03,8]pentadeca-1(11),2,12,14-tetraen-6-one?
(8S)-14-hydroxy-7,7,13-trimethyltricyclo[9.4.0.03,8]pentadeca-1(11),2,12,14-tetraen-6-one has a molecular weight of 270.37 g/mol, XLogP of 4.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-14-hydroxy-7,7,13-trimethyltricyclo[9.4.0.03,8]pentadeca-1(11),2,12,14-tetraen-6-one is sourced from PubChem (CID 44627152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).