(1R,6S,7S,10S,11S)-10-hydroxy-7,10,14-trimethyl-6-propan-2-yl-15-oxatricyclo[9.3.1.03,7]pentadeca-3,13-dien-9-one

C20H30O3 — CID 11438543

IUPAC(1R,6S,7S,10S,11S)-10-hydroxy-7,10,14-trimethyl-6-propan-2-yl-15-oxatricyclo[9.3.1.03,7]pentadeca-3,13-dien-9-one
SMILESCC1=CC[C@@H]2O[C@@H]1CC1=CC[C@@H](C(C)C)[C@]1(C)CC(=O)[C@@]2(C)O
InChIInChI=1S/C20H30O3/c1-12(2)15-8-7-14-10-16-13(3)6-9-18(23-16)20(5,22)17(21)11-19(14,15)4/h6-7,12,15-16,18,22H,8-11H2,1-5H3/t15-,16+,18-,19+,20+/m0/s1
InChIKeyLYULCTGPWDMVAO-KRFUXDQASA-N
MW318.46 g/mol
LogP3.81
Rot. Bonds1

About (1R,6S,7S,10S,11S)-10-hydroxy-7,10,14-trimethyl-6-propan-2-yl-15-oxatricyclo[9.3.1.03,7]pentadeca-3,13-dien-9-one

(1R,6S,7S,10S,11S)-10-hydroxy-7,10,14-trimethyl-6-propan-2-yl-15-oxatricyclo[9.3.1.03,7]pentadeca-3,13-dien-9-one (PubChem CID 11438543) has the molecular formula C20H30O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is (1R,6S,7S,10S,11S)-10-hydroxy-7,10,14-trimethyl-6-propan-2-yl-15-oxatricyclo[9.3.1.03,7]pentadeca-3,13-dien-9-one.

Molecular Properties

Compound Name(1R,6S,7S,10S,11S)-10-hydroxy-7,10,14-trimethyl-6-propan-2-yl-15-oxatricyclo[9.3.1.03,7]pentadeca-3,13-dien-9-one
PubChem CID11438543
Molecular FormulaC20H30O3
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Name(1R,6S,7S,10S,11S)-10-hydroxy-7,10,14-trimethyl-6-propan-2-yl-15-oxatricyclo[9.3.1.03,7]pentadeca-3,13-dien-9-one
SMILESCC1=CC[C@@H]2O[C@@H]1CC1=CC[C@@H](C(C)C)[C@]1(C)CC(=O)[C@@]2(C)O
InChIInChI=1S/C20H30O3/c1-12(2)15-8-7-14-10-16-13(3)6-9-18(23-16)20(5,22)17(21)11-19(14,15)4/h6-7,12,15-16,18,22H,8-11H2,1-5H3/t15-,16+,18-,19+,20+/m0/s1
InChIKeyLYULCTGPWDMVAO-KRFUXDQASA-N
XLogP3.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,6S,7S,10S,11S)-10-hydroxy-7,10,14-trimethyl-6-propan-2-yl-15-oxatricyclo[9.3.1.03,7]pentadeca-3,13-dien-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,6S,7S,10S,11S)-10-hydroxy-7,10,14-trimethyl-6-propan-2-yl-15-oxatricyclo[9.3.1.03,7]pentadeca-3,13-dien-9-one?
The IUPAC name of (1R,6S,7S,10S,11S)-10-hydroxy-7,10,14-trimethyl-6-propan-2-yl-15-oxatricyclo[9.3.1.03,7]pentadeca-3,13-dien-9-one (CID 11438543) is (1R,6S,7S,10S,11S)-10-hydroxy-7,10,14-trimethyl-6-propan-2-yl-15-oxatricyclo[9.3.1.03,7]pentadeca-3,13-dien-9-one.
What is the SMILES notation for (1R,6S,7S,10S,11S)-10-hydroxy-7,10,14-trimethyl-6-propan-2-yl-15-oxatricyclo[9.3.1.03,7]pentadeca-3,13-dien-9-one?
The canonical SMILES for (1R,6S,7S,10S,11S)-10-hydroxy-7,10,14-trimethyl-6-propan-2-yl-15-oxatricyclo[9.3.1.03,7]pentadeca-3,13-dien-9-one is CC1=CC[C@@H]2O[C@@H]1CC1=CC[C@@H](C(C)C)[C@]1(C)CC(=O)[C@@]2(C)O.
What is the InChIKey of (1R,6S,7S,10S,11S)-10-hydroxy-7,10,14-trimethyl-6-propan-2-yl-15-oxatricyclo[9.3.1.03,7]pentadeca-3,13-dien-9-one?
The InChIKey is LYULCTGPWDMVAO-KRFUXDQASA-N. The full InChI is InChI=1S/C20H30O3/c1-12(2)15-8-7-14-10-16-13(3)6-9-18(23-16)20(5,22)17(21)11-19(14,15)4/h6-7,12,15-16,18,22H,8-11H2,1-5H3/t15-,16+,18-,19+,20+/m0/s1.
What are the key properties of (1R,6S,7S,10S,11S)-10-hydroxy-7,10,14-trimethyl-6-propan-2-yl-15-oxatricyclo[9.3.1.03,7]pentadeca-3,13-dien-9-one?
(1R,6S,7S,10S,11S)-10-hydroxy-7,10,14-trimethyl-6-propan-2-yl-15-oxatricyclo[9.3.1.03,7]pentadeca-3,13-dien-9-one has a molecular weight of 318.46 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,7S,10S,11S)-10-hydroxy-7,10,14-trimethyl-6-propan-2-yl-15-oxatricyclo[9.3.1.03,7]pentadeca-3,13-dien-9-one is sourced from PubChem (CID 11438543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).