2-[(1R,3E,7E,11E)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]propan-2-ol

C20H34O — CID 6443020

IUPAC2-[(1R,3E,7E,11E)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]propan-2-ol
SMILESC/C1=C\CC/C(C)=C/C[C@H](C(C)(C)O)CC/C(C)=C/CC1
InChIInChI=1S/C20H34O/c1-16-8-6-10-17(2)12-14-19(20(4,5)21)15-13-18(3)11-7-9-16/h8,11-12,19,21H,6-7,9-10,13-15H2,1-5H3/b16-8+,17-12+,18-11+/t19-/m0/s1
InChIKeyZJWQYSDAWSDJRA-QPHFJTKNSA-N
MW290.49 g/mol
LogP5.96
Rot. Bonds1

About 2-[(1R,3E,7E,11E)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]propan-2-ol

2-[(1R,3E,7E,11E)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]propan-2-ol (PubChem CID 6443020) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is 2-[(1R,3E,7E,11E)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(1R,3E,7E,11E)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]propan-2-ol
PubChem CID6443020
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name2-[(1R,3E,7E,11E)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]propan-2-ol
SMILESC/C1=C\CC/C(C)=C/C[C@H](C(C)(C)O)CC/C(C)=C/CC1
InChIInChI=1S/C20H34O/c1-16-8-6-10-17(2)12-14-19(20(4,5)21)15-13-18(3)11-7-9-16/h8,11-12,19,21H,6-7,9-10,13-15H2,1-5H3/b16-8+,17-12+,18-11+/t19-/m0/s1
InChIKeyZJWQYSDAWSDJRA-QPHFJTKNSA-N
XLogP5.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(1R,3E,7E,11E)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]propan-2-ol with MolForge

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Related Compounds

(L)-alpha-terpineol
CID 443162
Alpha-Terpineol
CID 17100
Terpinen-4-ol
CID 11230
Bisabolol
CID 1549992
Levomenol
CID 442343
(+)-alpha-Terpineol
CID 442501
p-Menth-3-en-1-ol
CID 11468
alpha-Bisabolol, (+)-epi-
CID 1201551
beta-Bisabolol
CID 12300146
alpha,4-Dimethyl-alpha-(4-methyl-3-penten-1-yl)-3-cyclohexene-1-methanol
CID 10586
alpha-Bisabolol, (-)-epi-
CID 1616126
2,4,8-Trimethyl-7-nonen-2-ol
CID 14614417

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3E,7E,11E)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]propan-2-ol?
The IUPAC name of 2-[(1R,3E,7E,11E)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]propan-2-ol (CID 6443020) is 2-[(1R,3E,7E,11E)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]propan-2-ol.
What is the SMILES notation for 2-[(1R,3E,7E,11E)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]propan-2-ol?
The canonical SMILES for 2-[(1R,3E,7E,11E)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]propan-2-ol is C/C1=C\CC/C(C)=C/C[C@H](C(C)(C)O)CC/C(C)=C/CC1.
What is the InChIKey of 2-[(1R,3E,7E,11E)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]propan-2-ol?
The InChIKey is ZJWQYSDAWSDJRA-QPHFJTKNSA-N. The full InChI is InChI=1S/C20H34O/c1-16-8-6-10-17(2)12-14-19(20(4,5)21)15-13-18(3)11-7-9-16/h8,11-12,19,21H,6-7,9-10,13-15H2,1-5H3/b16-8+,17-12+,18-11+/t19-/m0/s1.
What are the key properties of 2-[(1R,3E,7E,11E)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]propan-2-ol?
2-[(1R,3E,7E,11E)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]propan-2-ol has a molecular weight of 290.49 g/mol, XLogP of 5.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3E,7E,11E)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]propan-2-ol is sourced from PubChem (CID 6443020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).