(3Z,7Z,11E)-2,12-dimethyl-5,6-dimethylidene-7-(2-methylprop-2-enylidene)tetradeca-1,3,11,13-tetraene

C22H30 — CID 143934062

IUPAC(3Z,7Z,11E)-2,12-dimethyl-5,6-dimethylidene-7-(2-methylprop-2-enylidene)tetradeca-1,3,11,13-tetraene
SMILESC=C/C(C)=C/CCC/C(=C/C(=C)C)C(=C)C(=C)/C=C\C(=C)C
InChIInChI=1S/C22H30/c1-9-19(6)12-10-11-13-22(16-18(4)5)21(8)20(7)15-14-17(2)3/h9,12,14-16H,1-2,4,7-8,10-11,13H2,3,5-6H3/b15-14-,19-12+,22-16-
InChIKeyGJKGKANBJAWNAW-QWZRFQQFSA-N
MW294.48 g/mol
LogP7.04
Rot. Bonds10

About (3Z,7Z,11E)-2,12-dimethyl-5,6-dimethylidene-7-(2-methylprop-2-enylidene)tetradeca-1,3,11,13-tetraene

(3Z,7Z,11E)-2,12-dimethyl-5,6-dimethylidene-7-(2-methylprop-2-enylidene)tetradeca-1,3,11,13-tetraene (PubChem CID 143934062) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is (3Z,7Z,11E)-2,12-dimethyl-5,6-dimethylidene-7-(2-methylprop-2-enylidene)tetradeca-1,3,11,13-tetraene.

Molecular Properties

Compound Name(3Z,7Z,11E)-2,12-dimethyl-5,6-dimethylidene-7-(2-methylprop-2-enylidene)tetradeca-1,3,11,13-tetraene
PubChem CID143934062
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Name(3Z,7Z,11E)-2,12-dimethyl-5,6-dimethylidene-7-(2-methylprop-2-enylidene)tetradeca-1,3,11,13-tetraene
SMILESC=C/C(C)=C/CCC/C(=C/C(=C)C)C(=C)C(=C)/C=C\C(=C)C
InChIInChI=1S/C22H30/c1-9-19(6)12-10-11-13-22(16-18(4)5)21(8)20(7)15-14-17(2)3/h9,12,14-16H,1-2,4,7-8,10-11,13H2,3,5-6H3/b15-14-,19-12+,22-16-
InChIKeyGJKGKANBJAWNAW-QWZRFQQFSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3Z,7Z,11E)-2,12-dimethyl-5,6-dimethylidene-7-(2-methylprop-2-enylidene)tetradeca-1,3,11,13-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E,11Z)-3,12-dimethyltetradeca-1,3,11,13-tetraene
CID 142629908
(3E)-3-methylnona-1,3-diene
CID 13382655
(3Z)-3-methyldodeca-1,3-diene
CID 13382661
(6E)-7-methylnona-6,8-dienoic acid
CID 14813173
2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527
2-methylbuta-1,3-diene;(3E)-3-methylhexa-1,3-diene
CID 173395749
(3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
CID 145122159
(3Z,7Z,9Z)-2,9-dimethyl-5,6-dimethylideneundeca-1,3,7,9-tetraene;ethane
CID 143933748
(3Z,7Z)-2-fluoro-4,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 145480540
2,6-dimethylocta-1,5,7-trien-1-ol
CID 176884331
[(3Z,7Z)-3-[(4Z)-3,6-dimethylideneocta-1,4-dien-2-yl]-9-methyl-5,6-dimethylidenedeca-3,7,9-trienyl] 2-methylprop-2-enoate
CID 145122786
(3Z)-N,N,5-trimethyl-2-methylidenehexa-3,5-dien-1-amine
CID 142124132

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z,11E)-2,12-dimethyl-5,6-dimethylidene-7-(2-methylprop-2-enylidene)tetradeca-1,3,11,13-tetraene?
The IUPAC name of (3Z,7Z,11E)-2,12-dimethyl-5,6-dimethylidene-7-(2-methylprop-2-enylidene)tetradeca-1,3,11,13-tetraene (CID 143934062) is (3Z,7Z,11E)-2,12-dimethyl-5,6-dimethylidene-7-(2-methylprop-2-enylidene)tetradeca-1,3,11,13-tetraene.
What is the SMILES notation for (3Z,7Z,11E)-2,12-dimethyl-5,6-dimethylidene-7-(2-methylprop-2-enylidene)tetradeca-1,3,11,13-tetraene?
The canonical SMILES for (3Z,7Z,11E)-2,12-dimethyl-5,6-dimethylidene-7-(2-methylprop-2-enylidene)tetradeca-1,3,11,13-tetraene is C=C/C(C)=C/CCC/C(=C/C(=C)C)C(=C)C(=C)/C=C\C(=C)C.
What is the InChIKey of (3Z,7Z,11E)-2,12-dimethyl-5,6-dimethylidene-7-(2-methylprop-2-enylidene)tetradeca-1,3,11,13-tetraene?
The InChIKey is GJKGKANBJAWNAW-QWZRFQQFSA-N. The full InChI is InChI=1S/C22H30/c1-9-19(6)12-10-11-13-22(16-18(4)5)21(8)20(7)15-14-17(2)3/h9,12,14-16H,1-2,4,7-8,10-11,13H2,3,5-6H3/b15-14-,19-12+,22-16-.
What are the key properties of (3Z,7Z,11E)-2,12-dimethyl-5,6-dimethylidene-7-(2-methylprop-2-enylidene)tetradeca-1,3,11,13-tetraene?
(3Z,7Z,11E)-2,12-dimethyl-5,6-dimethylidene-7-(2-methylprop-2-enylidene)tetradeca-1,3,11,13-tetraene has a molecular weight of 294.48 g/mol, XLogP of 7.04, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z,11E)-2,12-dimethyl-5,6-dimethylidene-7-(2-methylprop-2-enylidene)tetradeca-1,3,11,13-tetraene is sourced from PubChem (CID 143934062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).