(1R,2E,6E,10E,14S)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-triene-4,8-diol

C20H32O2 — CID 154824255

IUPAC(1R,2E,6E,10E,14S)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-triene-4,8-diol
SMILESC/C1=C\CC(O)/C(C)=C/CC(O)/C(C)=C/[C@@H]2[C@H](CC1)C2(C)C
InChIInChI=1S/C20H32O2/c1-13-6-9-16-17(20(16,4)5)12-15(3)19(22)11-8-14(2)18(21)10-7-13/h7-8,12,16-19,21-22H,6,9-11H2,1-5H3/b13-7+,14-8+,15-12+/t16-,17+,18?,19?/m0/s1
InChIKeyGJAXTHSJTDLRTP-YTHUXUQLSA-N
MW304.47 g/mol
LogP4.39
Rot. Bonds

About (1R,2E,6E,10E,14S)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-triene-4,8-diol

(1R,2E,6E,10E,14S)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-triene-4,8-diol (PubChem CID 154824255) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is (1R,2E,6E,10E,14S)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-triene-4,8-diol.

Molecular Properties

Compound Name(1R,2E,6E,10E,14S)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-triene-4,8-diol
PubChem CID154824255
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name(1R,2E,6E,10E,14S)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-triene-4,8-diol
SMILESC/C1=C\CC(O)/C(C)=C/CC(O)/C(C)=C/[C@@H]2[C@H](CC1)C2(C)C
InChIInChI=1S/C20H32O2/c1-13-6-9-16-17(20(16,4)5)12-15(3)19(22)11-8-14(2)18(21)10-7-13/h7-8,12,16-19,21-22H,6,9-11H2,1-5H3/b13-7+,14-8+,15-12+/t16-,17+,18?,19?/m0/s1
InChIKeyGJAXTHSJTDLRTP-YTHUXUQLSA-N
XLogP4.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.39
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 (1R,2E,6E,10E,14S)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-triene-4,8-diol?
The IUPAC name of (1R,2E,6E,10E,14S)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-triene-4,8-diol (CID 154824255) is (1R,2E,6E,10E,14S)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-triene-4,8-diol.
What is the SMILES notation for (1R,2E,6E,10E,14S)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-triene-4,8-diol?
The canonical SMILES for (1R,2E,6E,10E,14S)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-triene-4,8-diol is C/C1=C\CC(O)/C(C)=C/CC(O)/C(C)=C/[C@@H]2[C@H](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-triene-4,8-diol?
The InChIKey is GJAXTHSJTDLRTP-YTHUXUQLSA-N. The full InChI is InChI=1S/C20H32O2/c1-13-6-9-16-17(20(16,4)5)12-15(3)19(22)11-8-14(2)18(21)10-7-13/h7-8,12,16-19,21-22H,6,9-11H2,1-5H3/b13-7+,14-8+,15-12+/t16-,17+,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-triene-4,8-diol?
(1R,2E,6E,10E,14S)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-triene-4,8-diol has a molecular weight of 304.47 g/mol, XLogP of 4.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 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-triene-4,8-diol is sourced from PubChem (CID 154824255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).