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

C20H32O — CID 162979142

IUPAC2-[(1R,3E,7E,11Z)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]prop-2-en-1-ol
SMILESC=C(CO)[C@H]1C/C=C(\C)CC/C=C(\C)CC/C=C(/C)CC1
InChIInChI=1S/C20H32O/c1-16-7-5-9-17(2)11-13-20(19(4)15-21)14-12-18(3)10-6-8-16/h7,10-11,20-21H,4-6,8-9,12-15H2,1-3H3/b16-7+,17-11+,18-10-/t20-/m0/s1
InChIKeyMQZXPSOBCLRACA-QPRSWBNTSA-N
MW288.48 g/mol
LogP5.73
Rot. Bonds2

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

2-[(1R,3E,7E,11Z)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]prop-2-en-1-ol (PubChem CID 162979142) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-[(1R,3E,7E,11Z)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name2-[(1R,3E,7E,11Z)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]prop-2-en-1-ol
PubChem CID162979142
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name2-[(1R,3E,7E,11Z)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]prop-2-en-1-ol
SMILESC=C(CO)[C@H]1C/C=C(\C)CC/C=C(\C)CC/C=C(/C)CC1
InChIInChI=1S/C20H32O/c1-16-7-5-9-17(2)11-13-20(19(4)15-21)14-12-18(3)10-6-8-16/h7,10-11,20-21H,4-6,8-9,12-15H2,1-3H3/b16-7+,17-11+,18-10-/t20-/m0/s1
InChIKeyMQZXPSOBCLRACA-QPRSWBNTSA-N
XLogP5.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.73
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 2-[(1R,3E,7E,11Z)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]prop-2-en-1-ol?
The IUPAC name of 2-[(1R,3E,7E,11Z)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]prop-2-en-1-ol (CID 162979142) is 2-[(1R,3E,7E,11Z)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]prop-2-en-1-ol.
What is the SMILES notation for 2-[(1R,3E,7E,11Z)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]prop-2-en-1-ol?
The canonical SMILES for 2-[(1R,3E,7E,11Z)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]prop-2-en-1-ol is C=C(CO)[C@H]1C/C=C(\C)CC/C=C(\C)CC/C=C(/C)CC1.
What is the InChIKey of 2-[(1R,3E,7E,11Z)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]prop-2-en-1-ol?
The InChIKey is MQZXPSOBCLRACA-QPRSWBNTSA-N. The full InChI is InChI=1S/C20H32O/c1-16-7-5-9-17(2)11-13-20(19(4)15-21)14-12-18(3)10-6-8-16/h7,10-11,20-21H,4-6,8-9,12-15H2,1-3H3/b16-7+,17-11+,18-10-/t20-/m0/s1.
What are the key properties of 2-[(1R,3E,7E,11Z)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]prop-2-en-1-ol?
2-[(1R,3E,7E,11Z)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]prop-2-en-1-ol has a molecular weight of 288.48 g/mol, XLogP of 5.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3E,7E,11Z)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]prop-2-en-1-ol is sourced from PubChem (CID 162979142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).