(3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trien-1-ol

C20H30O — CID 5378255

IUPAC(3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trien-1-ol
SMILESCC1=CCCC(C)(C)/C1=C/C=C(C)/C=C/C=C(\C)CCO
InChIInChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-12,21H,7,13-15H2,1-5H3/b8-6+,16-11+,17-9+,19-12+
InChIKeyLWSSYLJSLZBNKE-YIAYGWAFSA-N
MW286.46 g/mol
LogP5.51
Rot. Bonds5

About (3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trien-1-ol

(3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trien-1-ol (PubChem CID 5378255) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is (3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trien-1-ol.

Molecular Properties

Compound Name(3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trien-1-ol
PubChem CID5378255
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name(3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trien-1-ol
SMILESCC1=CCCC(C)(C)/C1=C/C=C(C)/C=C/C=C(\C)CCO
InChIInChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-12,21H,7,13-15H2,1-5H3/b8-6+,16-11+,17-9+,19-12+
InChIKeyLWSSYLJSLZBNKE-YIAYGWAFSA-N
XLogP5.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trien-1-ol with MolForge

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Launch Full Analysis

Related Compounds

[(1E,3E,5E,7E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-1,3,5,7-tetraenyl]-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]-(2-hydroxyethyl)azanium
CID 178184001
[(E,4E)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-2-en-2-yl] acetate
CID 71772521
[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-2-en-2-yl] acetate
CID 178184227
(2E,4E,6E,8E,10Z)-4,8-dimethyl-10-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-ylidene)deca-2,4,6,8-tetraenal
CID 88837038
(6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,5,5-trimethylcyclohexene
CID 5281230
(6R)-6-[(3E,7E,9E,11E,13Z,15Z,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,5,5-trimethylcyclohexene
CID 6324892
[2,6-dimethyl-8-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-ylidene)octa-2,4,6-trienyl]-triphenylphosphanium
CID 173460684
(6Z)-1,5,5-trimethyl-6-propylidenecyclohexene
CID 21035911
(3S)-2,2-dimethyl-3-[(3E,5E,7E,9Z,11E,13E,15E,17E,19E,21E)-3,7,11,16,20-pentamethyl-22-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]docosa-3,5,7,9,11,13,15,17,19,21-decaenyl]oxirane
CID 163037210
(2R,4Z)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)butan-2-ol
CID 23726521
1,5,5-trimethyl-6-[(1E,3E,5E,7E,9E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
CID 152743365
(2Z,4Z,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6-trienoic acid
CID 5326825

Frequently Asked Questions

What is the IUPAC name of (3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trien-1-ol?
The IUPAC name of (3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trien-1-ol (CID 5378255) is (3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trien-1-ol.
What is the SMILES notation for (3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trien-1-ol?
The canonical SMILES for (3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trien-1-ol is CC1=CCCC(C)(C)/C1=C/C=C(C)/C=C/C=C(\C)CCO.
What is the InChIKey of (3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trien-1-ol?
The InChIKey is LWSSYLJSLZBNKE-YIAYGWAFSA-N. The full InChI is InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-12,21H,7,13-15H2,1-5H3/b8-6+,16-11+,17-9+,19-12+.
What are the key properties of (3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trien-1-ol?
(3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trien-1-ol has a molecular weight of 286.46 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trien-1-ol is sourced from PubChem (CID 5378255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).