(1R,2E,6E,10E,14S)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-trien-4-ol

C20H32O — CID 154824095

IUPAC(1R,2E,6E,10E,14S)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-trien-4-ol
SMILESC/C1=C\CC(O)/C(C)=C/[C@@H]2[C@H](CC/C(C)=C/CC1)C2(C)C
InChIInChI=1S/C20H32O/c1-14-7-6-8-15(2)10-12-19(21)16(3)13-18-17(11-9-14)20(18,4)5/h7,10,13,17-19,21H,6,8-9,11-12H2,1-5H3/b14-7+,15-10+,16-13+/t17-,18+,19?/m0/s1
InChIKeyWMRXBBBPPAWODQ-YOIVSRADSA-N
MW288.48 g/mol
LogP5.42
Rot. Bonds

About (1R,2E,6E,10E,14S)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-trien-4-ol

(1R,2E,6E,10E,14S)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-trien-4-ol (PubChem CID 154824095) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is (1R,2E,6E,10E,14S)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-trien-4-ol.

Molecular Properties

Compound Name(1R,2E,6E,10E,14S)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-trien-4-ol
PubChem CID154824095
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name(1R,2E,6E,10E,14S)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-trien-4-ol
SMILESC/C1=C\CC(O)/C(C)=C/[C@@H]2[C@H](CC/C(C)=C/CC1)C2(C)C
InChIInChI=1S/C20H32O/c1-14-7-6-8-15(2)10-12-19(21)16(3)13-18-17(11-9-14)20(18,4)5/h7,10,13,17-19,21H,6,8-9,11-12H2,1-5H3/b14-7+,15-10+,16-13+/t17-,18+,19?/m0/s1
InChIKeyWMRXBBBPPAWODQ-YOIVSRADSA-N
XLogP5.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (1R,2E,6E,10E,14S)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-trien-4-ol?
The IUPAC name of (1R,2E,6E,10E,14S)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-trien-4-ol (CID 154824095) is (1R,2E,6E,10E,14S)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-trien-4-ol.
What is the SMILES notation for (1R,2E,6E,10E,14S)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-trien-4-ol?
The canonical SMILES for (1R,2E,6E,10E,14S)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-trien-4-ol is C/C1=C\CC(O)/C(C)=C/[C@@H]2[C@H](CC/C(C)=C/CC1)C2(C)C.
What is the InChIKey of (1R,2E,6E,10E,14S)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-trien-4-ol?
The InChIKey is WMRXBBBPPAWODQ-YOIVSRADSA-N. The full InChI is InChI=1S/C20H32O/c1-14-7-6-8-15(2)10-12-19(21)16(3)13-18-17(11-9-14)20(18,4)5/h7,10,13,17-19,21H,6,8-9,11-12H2,1-5H3/b14-7+,15-10+,16-13+/t17-,18+,19?/m0/s1.
What are the key properties of (1R,2E,6E,10E,14S)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-trien-4-ol?
(1R,2E,6E,10E,14S)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-trien-4-ol has a molecular weight of 288.48 g/mol, XLogP of 5.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2E,6E,10E,14S)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-trien-4-ol is sourced from PubChem (CID 154824095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).