[(1Z,5E,7E,11E)-5,11-dimethyl-8-propan-2-ylcyclotetradeca-1,5,7,11-tetraen-1-yl]methanol

C20H32O — CID 10613376

IUPAC[(1Z,5E,7E,11E)-5,11-dimethyl-8-propan-2-ylcyclotetradeca-1,5,7,11-tetraen-1-yl]methanol
SMILESC/C1=C\C=C(\C(C)C)CC/C(C)=C/CC/C(CO)=C/CC1
InChIInChI=1S/C20H32O/c1-16(2)20-13-11-17(3)7-5-9-19(15-21)10-6-8-18(4)12-14-20/h7,10,12,14,16,21H,5-6,8-9,11,13,15H2,1-4H3/b17-7+,18-12+,19-10-,20-14+
InChIKeyXJSIBXGBYZWHNI-GJJXTFRQSA-N
MW288.48 g/mol
LogP5.73
Rot. Bonds2

About [(1Z,5E,7E,11E)-5,11-dimethyl-8-propan-2-ylcyclotetradeca-1,5,7,11-tetraen-1-yl]methanol

[(1Z,5E,7E,11E)-5,11-dimethyl-8-propan-2-ylcyclotetradeca-1,5,7,11-tetraen-1-yl]methanol (PubChem CID 10613376) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is [(1Z,5E,7E,11E)-5,11-dimethyl-8-propan-2-ylcyclotetradeca-1,5,7,11-tetraen-1-yl]methanol.

Molecular Properties

Compound Name[(1Z,5E,7E,11E)-5,11-dimethyl-8-propan-2-ylcyclotetradeca-1,5,7,11-tetraen-1-yl]methanol
PubChem CID10613376
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name[(1Z,5E,7E,11E)-5,11-dimethyl-8-propan-2-ylcyclotetradeca-1,5,7,11-tetraen-1-yl]methanol
SMILESC/C1=C\C=C(\C(C)C)CC/C(C)=C/CC/C(CO)=C/CC1
InChIInChI=1S/C20H32O/c1-16(2)20-13-11-17(3)7-5-9-19(15-21)10-6-8-18(4)12-14-20/h7,10,12,14,16,21H,5-6,8-9,11,13,15H2,1-4H3/b17-7+,18-12+,19-10-,20-14+
InChIKeyXJSIBXGBYZWHNI-GJJXTFRQSA-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 [(1Z,5E,7E,11E)-5,11-dimethyl-8-propan-2-ylcyclotetradeca-1,5,7,11-tetraen-1-yl]methanol?
The IUPAC name of [(1Z,5E,7E,11E)-5,11-dimethyl-8-propan-2-ylcyclotetradeca-1,5,7,11-tetraen-1-yl]methanol (CID 10613376) is [(1Z,5E,7E,11E)-5,11-dimethyl-8-propan-2-ylcyclotetradeca-1,5,7,11-tetraen-1-yl]methanol.
What is the SMILES notation for [(1Z,5E,7E,11E)-5,11-dimethyl-8-propan-2-ylcyclotetradeca-1,5,7,11-tetraen-1-yl]methanol?
The canonical SMILES for [(1Z,5E,7E,11E)-5,11-dimethyl-8-propan-2-ylcyclotetradeca-1,5,7,11-tetraen-1-yl]methanol is C/C1=C\C=C(\C(C)C)CC/C(C)=C/CC/C(CO)=C/CC1.
What is the InChIKey of [(1Z,5E,7E,11E)-5,11-dimethyl-8-propan-2-ylcyclotetradeca-1,5,7,11-tetraen-1-yl]methanol?
The InChIKey is XJSIBXGBYZWHNI-GJJXTFRQSA-N. The full InChI is InChI=1S/C20H32O/c1-16(2)20-13-11-17(3)7-5-9-19(15-21)10-6-8-18(4)12-14-20/h7,10,12,14,16,21H,5-6,8-9,11,13,15H2,1-4H3/b17-7+,18-12+,19-10-,20-14+.
What are the key properties of [(1Z,5E,7E,11E)-5,11-dimethyl-8-propan-2-ylcyclotetradeca-1,5,7,11-tetraen-1-yl]methanol?
[(1Z,5E,7E,11E)-5,11-dimethyl-8-propan-2-ylcyclotetradeca-1,5,7,11-tetraen-1-yl]methanol 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 [(1Z,5E,7E,11E)-5,11-dimethyl-8-propan-2-ylcyclotetradeca-1,5,7,11-tetraen-1-yl]methanol is sourced from PubChem (CID 10613376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).