(1S,2Z,6Z,10E,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-trien-1-ol

C20H32O — CID 10266146

IUPAC(1S,2Z,6Z,10E,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-trien-1-ol
SMILESC=C(C)[C@H]1C/C=C(\C)CC/C=C(/C)CC/C=C(/C)[C@@H](O)C1
InChIInChI=1S/C20H32O/c1-15(2)19-13-12-17(4)9-6-8-16(3)10-7-11-18(5)20(21)14-19/h8,11-12,19-21H,1,6-7,9-10,13-14H2,2-5H3/b16-8-,17-12+,18-11-/t19-,20-/m0/s1
InChIKeyCVITZXGTBCOBPR-JFIYLLPBSA-N
MW288.48 g/mol
LogP5.73
Rot. Bonds1

About (1S,2Z,6Z,10E,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-trien-1-ol

(1S,2Z,6Z,10E,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-trien-1-ol (PubChem CID 10266146) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is (1S,2Z,6Z,10E,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-trien-1-ol.

Molecular Properties

Compound Name(1S,2Z,6Z,10E,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-trien-1-ol
PubChem CID10266146
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name(1S,2Z,6Z,10E,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-trien-1-ol
SMILESC=C(C)[C@H]1C/C=C(\C)CC/C=C(/C)CC/C=C(/C)[C@@H](O)C1
InChIInChI=1S/C20H32O/c1-15(2)19-13-12-17(4)9-6-8-16(3)10-7-11-18(5)20(21)14-19/h8,11-12,19-21H,1,6-7,9-10,13-14H2,2-5H3/b16-8-,17-12+,18-11-/t19-,20-/m0/s1
InChIKeyCVITZXGTBCOBPR-JFIYLLPBSA-N
XLogP5.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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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Related Compounds

(1E,5E,8R,10R)-1,5-dimethyl-8,10-bis(prop-1-en-2-yl)cyclododeca-1,5-diene
CID 14192378
(1R,3R,5S,6E,10E,14R)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-5-ol
CID 162884565
(1R,3S,5R,14R)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-5-ol
CID 162884566
(1R,7R)-4,10-dimethyl-14-methylidene-7-prop-1-en-2-ylcyclotetradeca-4,10-dien-1-ol
CID 162887924
(1S,5Z,9S)-6-methyl-2-methylidene-9-prop-1-en-2-ylcyclodec-5-en-1-ol
CID 163074958
(1S,3R,5Z,9R)-6-methyl-2-methylidene-9-prop-1-en-2-ylcyclodec-5-ene-1,3-diol
CID 102066424
(1S,3E,7E,11E)-3,7,11-trimethyl-14-prop-1-en-2-ylcyclotetradeca-3,7,11-trien-1-ol
CID 14217911
(1R,3S,5R,6E,11S,14R)-11-hydroperoxy-6,14-dimethyl-10-methylidene-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadec-6-en-5-ol
CID 162945606
ethane-1,2-diol;1-methyl-4-prop-1-en-2-ylcyclohexene
CID 67811623
2-[(1R,3Z,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-1-en-1-one
CID 87760907
2-[(1R)-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-1-en-1-one
CID 90888047
2-[(1R,3E,7E,11Z)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]prop-2-en-1-ol
CID 162979142

Frequently Asked Questions

What is the IUPAC name of (1S,2Z,6Z,10E,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-trien-1-ol?
The IUPAC name of (1S,2Z,6Z,10E,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-trien-1-ol (CID 10266146) is (1S,2Z,6Z,10E,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-trien-1-ol.
What is the SMILES notation for (1S,2Z,6Z,10E,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-trien-1-ol?
The canonical SMILES for (1S,2Z,6Z,10E,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-trien-1-ol is C=C(C)[C@H]1C/C=C(\C)CC/C=C(/C)CC/C=C(/C)[C@@H](O)C1.
What is the InChIKey of (1S,2Z,6Z,10E,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-trien-1-ol?
The InChIKey is CVITZXGTBCOBPR-JFIYLLPBSA-N. The full InChI is InChI=1S/C20H32O/c1-15(2)19-13-12-17(4)9-6-8-16(3)10-7-11-18(5)20(21)14-19/h8,11-12,19-21H,1,6-7,9-10,13-14H2,2-5H3/b16-8-,17-12+,18-11-/t19-,20-/m0/s1.
What are the key properties of (1S,2Z,6Z,10E,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-trien-1-ol?
(1S,2Z,6Z,10E,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-trien-1-ol has a molecular weight of 288.48 g/mol, XLogP of 5.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2Z,6Z,10E,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-trien-1-ol is sourced from PubChem (CID 10266146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).