8-(hydroxymethyl)-4,14,15,15-tetramethylbicyclo[9.3.1]pentadeca-1(14),4,8-trien-6-ol

C20H32O2 — CID 139586212

IUPAC8-(hydroxymethyl)-4,14,15,15-tetramethylbicyclo[9.3.1]pentadeca-1(14),4,8-trien-6-ol
SMILESCC1=CC(O)CC(CO)=CCC2CCC(C)=C(CC1)C2(C)C
InChIInChI=1S/C20H32O2/c1-14-5-10-19-15(2)6-8-17(20(19,3)4)9-7-16(13-21)12-18(22)11-14/h7,11,17-18,21-22H,5-6,8-10,12-13H2,1-4H3
InChIKeyGCPPQPWPLQETFO-UHFFFAOYSA-N
MW304.47 g/mol
LogP4.54
Rot. Bonds1

About 8-(hydroxymethyl)-4,14,15,15-tetramethylbicyclo[9.3.1]pentadeca-1(14),4,8-trien-6-ol

8-(hydroxymethyl)-4,14,15,15-tetramethylbicyclo[9.3.1]pentadeca-1(14),4,8-trien-6-ol (PubChem CID 139586212) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 8-(hydroxymethyl)-4,14,15,15-tetramethylbicyclo[9.3.1]pentadeca-1(14),4,8-trien-6-ol.

Molecular Properties

Compound Name8-(hydroxymethyl)-4,14,15,15-tetramethylbicyclo[9.3.1]pentadeca-1(14),4,8-trien-6-ol
PubChem CID139586212
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name8-(hydroxymethyl)-4,14,15,15-tetramethylbicyclo[9.3.1]pentadeca-1(14),4,8-trien-6-ol
SMILESCC1=CC(O)CC(CO)=CCC2CCC(C)=C(CC1)C2(C)C
InChIInChI=1S/C20H32O2/c1-14-5-10-19-15(2)6-8-17(20(19,3)4)9-7-16(13-21)12-18(22)11-14/h7,11,17-18,21-22H,5-6,8-10,12-13H2,1-4H3
InChIKeyGCPPQPWPLQETFO-UHFFFAOYSA-N
XLogP4.54
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(hydroxymethyl)-4,14,15,15-tetramethylbicyclo[9.3.1]pentadeca-1(14),4,8-trien-6-ol?
The IUPAC name of 8-(hydroxymethyl)-4,14,15,15-tetramethylbicyclo[9.3.1]pentadeca-1(14),4,8-trien-6-ol (CID 139586212) is 8-(hydroxymethyl)-4,14,15,15-tetramethylbicyclo[9.3.1]pentadeca-1(14),4,8-trien-6-ol.
What is the SMILES notation for 8-(hydroxymethyl)-4,14,15,15-tetramethylbicyclo[9.3.1]pentadeca-1(14),4,8-trien-6-ol?
The canonical SMILES for 8-(hydroxymethyl)-4,14,15,15-tetramethylbicyclo[9.3.1]pentadeca-1(14),4,8-trien-6-ol is CC1=CC(O)CC(CO)=CCC2CCC(C)=C(CC1)C2(C)C.
What is the InChIKey of 8-(hydroxymethyl)-4,14,15,15-tetramethylbicyclo[9.3.1]pentadeca-1(14),4,8-trien-6-ol?
The InChIKey is GCPPQPWPLQETFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2/c1-14-5-10-19-15(2)6-8-17(20(19,3)4)9-7-16(13-21)12-18(22)11-14/h7,11,17-18,21-22H,5-6,8-10,12-13H2,1-4H3.
What are the key properties of 8-(hydroxymethyl)-4,14,15,15-tetramethylbicyclo[9.3.1]pentadeca-1(14),4,8-trien-6-ol?
8-(hydroxymethyl)-4,14,15,15-tetramethylbicyclo[9.3.1]pentadeca-1(14),4,8-trien-6-ol has a molecular weight of 304.47 g/mol, XLogP of 4.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(hydroxymethyl)-4,14,15,15-tetramethylbicyclo[9.3.1]pentadeca-1(14),4,8-trien-6-ol is sourced from PubChem (CID 139586212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).