(4E,6R,8E,11R,12R)-6-methoxy-4,8,14,15,15-pentamethylbicyclo[9.3.1]pentadeca-1(14),4,8-trien-12-ol

C21H34O2 — CID 156581677

IUPAC(4E,6R,8E,11R,12R)-6-methoxy-4,8,14,15,15-pentamethylbicyclo[9.3.1]pentadeca-1(14),4,8-trien-12-ol
SMILESCO[C@H]1/C=C(\C)CCC2=C(C)C[C@@H](O)[C@H](C/C=C(\C)C1)C2(C)C
InChIInChI=1S/C21H34O2/c1-14-7-9-18-16(3)13-20(22)19(21(18,4)5)10-8-15(2)12-17(11-14)23-6/h8,11,17,19-20,22H,7,9-10,12-13H2,1-6H3/b14-11+,15-8+/t17-,19-,20+/m0/s1
InChIKeyXTOYFHPYGQZMOS-WJZCTMFHSA-N
MW318.50 g/mol
LogP5.19
Rot. Bonds1

About (4E,6R,8E,11R,12R)-6-methoxy-4,8,14,15,15-pentamethylbicyclo[9.3.1]pentadeca-1(14),4,8-trien-12-ol

(4E,6R,8E,11R,12R)-6-methoxy-4,8,14,15,15-pentamethylbicyclo[9.3.1]pentadeca-1(14),4,8-trien-12-ol (PubChem CID 156581677) has the molecular formula C21H34O2 and a molecular weight of 318.50 g/mol. Its IUPAC name is (4E,6R,8E,11R,12R)-6-methoxy-4,8,14,15,15-pentamethylbicyclo[9.3.1]pentadeca-1(14),4,8-trien-12-ol.

Molecular Properties

Compound Name(4E,6R,8E,11R,12R)-6-methoxy-4,8,14,15,15-pentamethylbicyclo[9.3.1]pentadeca-1(14),4,8-trien-12-ol
PubChem CID156581677
Molecular FormulaC21H34O2
Molecular Weight318.50 g/mol
Exact Mass318.26
IUPAC Name(4E,6R,8E,11R,12R)-6-methoxy-4,8,14,15,15-pentamethylbicyclo[9.3.1]pentadeca-1(14),4,8-trien-12-ol
SMILESCO[C@H]1/C=C(\C)CCC2=C(C)C[C@@H](O)[C@H](C/C=C(\C)C1)C2(C)C
InChIInChI=1S/C21H34O2/c1-14-7-9-18-16(3)13-20(22)19(21(18,4)5)10-8-15(2)12-17(11-14)23-6/h8,11,17,19-20,22H,7,9-10,12-13H2,1-6H3/b14-11+,15-8+/t17-,19-,20+/m0/s1
InChIKeyXTOYFHPYGQZMOS-WJZCTMFHSA-N
XLogP5.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4E,6R,8E,11R,12R)-6-methoxy-4,8,14,15,15-pentamethylbicyclo[9.3.1]pentadeca-1(14),4,8-trien-12-ol 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 (4E,6R,8E,11R,12R)-6-methoxy-4,8,14,15,15-pentamethylbicyclo[9.3.1]pentadeca-1(14),4,8-trien-12-ol?
The IUPAC name of (4E,6R,8E,11R,12R)-6-methoxy-4,8,14,15,15-pentamethylbicyclo[9.3.1]pentadeca-1(14),4,8-trien-12-ol (CID 156581677) is (4E,6R,8E,11R,12R)-6-methoxy-4,8,14,15,15-pentamethylbicyclo[9.3.1]pentadeca-1(14),4,8-trien-12-ol.
What is the SMILES notation for (4E,6R,8E,11R,12R)-6-methoxy-4,8,14,15,15-pentamethylbicyclo[9.3.1]pentadeca-1(14),4,8-trien-12-ol?
The canonical SMILES for (4E,6R,8E,11R,12R)-6-methoxy-4,8,14,15,15-pentamethylbicyclo[9.3.1]pentadeca-1(14),4,8-trien-12-ol is CO[C@H]1/C=C(\C)CCC2=C(C)C[C@@H](O)[C@H](C/C=C(\C)C1)C2(C)C.
What is the InChIKey of (4E,6R,8E,11R,12R)-6-methoxy-4,8,14,15,15-pentamethylbicyclo[9.3.1]pentadeca-1(14),4,8-trien-12-ol?
The InChIKey is XTOYFHPYGQZMOS-WJZCTMFHSA-N. The full InChI is InChI=1S/C21H34O2/c1-14-7-9-18-16(3)13-20(22)19(21(18,4)5)10-8-15(2)12-17(11-14)23-6/h8,11,17,19-20,22H,7,9-10,12-13H2,1-6H3/b14-11+,15-8+/t17-,19-,20+/m0/s1.
What are the key properties of (4E,6R,8E,11R,12R)-6-methoxy-4,8,14,15,15-pentamethylbicyclo[9.3.1]pentadeca-1(14),4,8-trien-12-ol?
(4E,6R,8E,11R,12R)-6-methoxy-4,8,14,15,15-pentamethylbicyclo[9.3.1]pentadeca-1(14),4,8-trien-12-ol has a molecular weight of 318.50 g/mol, XLogP of 5.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6R,8E,11R,12R)-6-methoxy-4,8,14,15,15-pentamethylbicyclo[9.3.1]pentadeca-1(14),4,8-trien-12-ol is sourced from PubChem (CID 156581677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).