(1S,4E,8E,12E,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-7-ol

C20H32O — CID 154824254

IUPAC(1S,4E,8E,12E,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-7-ol
SMILESC/C1=C\[C@@H]2[C@H](CC/C(C)=C/CC(O)/C(C)=C/CC1)C2(C)C
InChIInChI=1S/C20H32O/c1-14-9-11-17-18(20(17,4)5)13-15(2)7-6-8-16(3)19(21)12-10-14/h8,10,13,17-19,21H,6-7,9,11-12H2,1-5H3/b14-10+,15-13+,16-8+/t17-,18+,19?/m0/s1
InChIKeyWQLVGRORJXHSLF-BXZMJSRDSA-N
MW288.48 g/mol
LogP5.42
Rot. Bonds

About (1S,4E,8E,12E,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-7-ol

(1S,4E,8E,12E,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-7-ol (PubChem CID 154824254) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is (1S,4E,8E,12E,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-7-ol.

Molecular Properties

Compound Name(1S,4E,8E,12E,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-7-ol
PubChem CID154824254
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name(1S,4E,8E,12E,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-7-ol
SMILESC/C1=C\[C@@H]2[C@H](CC/C(C)=C/CC(O)/C(C)=C/CC1)C2(C)C
InChIInChI=1S/C20H32O/c1-14-9-11-17-18(20(17,4)5)13-15(2)7-6-8-16(3)19(21)12-10-14/h8,10,13,17-19,21H,6-7,9,11-12H2,1-5H3/b14-10+,15-13+,16-8+/t17-,18+,19?/m0/s1
InChIKeyWQLVGRORJXHSLF-BXZMJSRDSA-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 (1S,4E,8E,12E,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-7-ol?
The IUPAC name of (1S,4E,8E,12E,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-7-ol (CID 154824254) is (1S,4E,8E,12E,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-7-ol.
What is the SMILES notation for (1S,4E,8E,12E,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-7-ol?
The canonical SMILES for (1S,4E,8E,12E,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-7-ol is C/C1=C\[C@@H]2[C@H](CC/C(C)=C/CC(O)/C(C)=C/CC1)C2(C)C.
What is the InChIKey of (1S,4E,8E,12E,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-7-ol?
The InChIKey is WQLVGRORJXHSLF-BXZMJSRDSA-N. The full InChI is InChI=1S/C20H32O/c1-14-9-11-17-18(20(17,4)5)13-15(2)7-6-8-16(3)19(21)12-10-14/h8,10,13,17-19,21H,6-7,9,11-12H2,1-5H3/b14-10+,15-13+,16-8+/t17-,18+,19?/m0/s1.
What are the key properties of (1S,4E,8E,12E,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-7-ol?
(1S,4E,8E,12E,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-7-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 (1S,4E,8E,12E,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-7-ol is sourced from PubChem (CID 154824254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).