(1R,3E,6S,7E,11R,12R)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-diene-6,12-diol

C20H34O2 — CID 102408592

IUPAC(1R,3E,6S,7E,11R,12R)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-diene-6,12-diol
SMILESC/C1=C\[C@@H](O)C/C(C)=C/C[C@H]2CC[C@@](C)(O)[C@H](CC1)C2(C)C
InChIInChI=1S/C20H34O2/c1-14-6-8-16-10-11-20(5,22)18(19(16,3)4)9-7-15(2)13-17(21)12-14/h6,13,16-18,21-22H,7-12H2,1-5H3/b14-6+,15-13+/t16-,17-,18+,20+/m0/s1
InChIKeyZFZJGHUIXOHECQ-CBAGNANHSA-N
MW306.49 g/mol
LogP4.62
Rot. Bonds

About (1R,3E,6S,7E,11R,12R)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-diene-6,12-diol

(1R,3E,6S,7E,11R,12R)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-diene-6,12-diol (PubChem CID 102408592) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is (1R,3E,6S,7E,11R,12R)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-diene-6,12-diol.

Molecular Properties

Compound Name(1R,3E,6S,7E,11R,12R)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-diene-6,12-diol
PubChem CID102408592
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name(1R,3E,6S,7E,11R,12R)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-diene-6,12-diol
SMILESC/C1=C\[C@@H](O)C/C(C)=C/C[C@H]2CC[C@@](C)(O)[C@H](CC1)C2(C)C
InChIInChI=1S/C20H34O2/c1-14-6-8-16-10-11-20(5,22)18(19(16,3)4)9-7-15(2)13-17(21)12-14/h6,13,16-18,21-22H,7-12H2,1-5H3/b14-6+,15-13+/t16-,17-,18+,20+/m0/s1
InChIKeyZFZJGHUIXOHECQ-CBAGNANHSA-N
XLogP4.62
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,3E,6S,7E,11R,12R)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-diene-6,12-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3E,6S,7E,11R,12R)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-diene-6,12-diol?
The IUPAC name of (1R,3E,6S,7E,11R,12R)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-diene-6,12-diol (CID 102408592) is (1R,3E,6S,7E,11R,12R)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-diene-6,12-diol.
What is the SMILES notation for (1R,3E,6S,7E,11R,12R)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-diene-6,12-diol?
The canonical SMILES for (1R,3E,6S,7E,11R,12R)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-diene-6,12-diol is C/C1=C\[C@@H](O)C/C(C)=C/C[C@H]2CC[C@@](C)(O)[C@H](CC1)C2(C)C.
What is the InChIKey of (1R,3E,6S,7E,11R,12R)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-diene-6,12-diol?
The InChIKey is ZFZJGHUIXOHECQ-CBAGNANHSA-N. The full InChI is InChI=1S/C20H34O2/c1-14-6-8-16-10-11-20(5,22)18(19(16,3)4)9-7-15(2)13-17(21)12-14/h6,13,16-18,21-22H,7-12H2,1-5H3/b14-6+,15-13+/t16-,17-,18+,20+/m0/s1.
What are the key properties of (1R,3E,6S,7E,11R,12R)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-diene-6,12-diol?
(1R,3E,6S,7E,11R,12R)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-diene-6,12-diol has a molecular weight of 306.49 g/mol, XLogP of 4.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3E,6S,7E,11R,12R)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-diene-6,12-diol is sourced from PubChem (CID 102408592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).