[(Z,3Z)-2-methyl-3-(2-methylprop-2-enylidene)hept-4-enyl]benzene

C18H24 — CID 143472728

IUPAC[(Z,3Z)-2-methyl-3-(2-methylprop-2-enylidene)hept-4-enyl]benzene
SMILESC=C(C)/C=C(\C=C/CC)C(C)Cc1ccccc1
InChIInChI=1S/C18H24/c1-5-6-12-18(13-15(2)3)16(4)14-17-10-8-7-9-11-17/h6-13,16H,2,5,14H2,1,3-4H3/b12-6-,18-13+
InChIKeyAJRUMBMOAMXXLX-PMOBQMTMSA-N
MW240.39 g/mol
LogP5.33
Rot. Bonds6

About [(Z,3Z)-2-methyl-3-(2-methylprop-2-enylidene)hept-4-enyl]benzene

[(Z,3Z)-2-methyl-3-(2-methylprop-2-enylidene)hept-4-enyl]benzene (PubChem CID 143472728) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is [(Z,3Z)-2-methyl-3-(2-methylprop-2-enylidene)hept-4-enyl]benzene.

Molecular Properties

Compound Name[(Z,3Z)-2-methyl-3-(2-methylprop-2-enylidene)hept-4-enyl]benzene
PubChem CID143472728
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name[(Z,3Z)-2-methyl-3-(2-methylprop-2-enylidene)hept-4-enyl]benzene
SMILESC=C(C)/C=C(\C=C/CC)C(C)Cc1ccccc1
InChIInChI=1S/C18H24/c1-5-6-12-18(13-15(2)3)16(4)14-17-10-8-7-9-11-17/h6-13,16H,2,5,14H2,1,3-4H3/b12-6-,18-13+
InChIKeyAJRUMBMOAMXXLX-PMOBQMTMSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2-methyl-3-methylidenepentyl]benzene
CID 173484600
(3R)-N,3-dimethyl-4-phenylbut-1-en-2-amine
CID 142994243
4-methyl-5-phenylpent-1-en-3-one
CID 21353103
(Z,3E)-3-ethylidene-1-phenylhept-4-ene-1,2-diamine
CID 153400130
(3E)-5-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-one;2-propylpentylbenzene
CID 142839561
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303
hydrogen peroxide;1-phenylbutan-2-ylbenzene
CID 19777291
calcium 2-methyl-3-phenylpropanoic acid
CID 51348696
4-methyl-5-phenylpent-1-en-1-ol
CID 70372355
(E)-1,1-diphenylhex-3-en-2-one
CID 67801120
[(2R)-2-methylpent-4-enyl]benzene
CID 163762006
CID 20537348
CID 20537348

Frequently Asked Questions

What is the IUPAC name of [(Z,3Z)-2-methyl-3-(2-methylprop-2-enylidene)hept-4-enyl]benzene?
The IUPAC name of [(Z,3Z)-2-methyl-3-(2-methylprop-2-enylidene)hept-4-enyl]benzene (CID 143472728) is [(Z,3Z)-2-methyl-3-(2-methylprop-2-enylidene)hept-4-enyl]benzene.
What is the SMILES notation for [(Z,3Z)-2-methyl-3-(2-methylprop-2-enylidene)hept-4-enyl]benzene?
The canonical SMILES for [(Z,3Z)-2-methyl-3-(2-methylprop-2-enylidene)hept-4-enyl]benzene is C=C(C)/C=C(\C=C/CC)C(C)Cc1ccccc1.
What is the InChIKey of [(Z,3Z)-2-methyl-3-(2-methylprop-2-enylidene)hept-4-enyl]benzene?
The InChIKey is AJRUMBMOAMXXLX-PMOBQMTMSA-N. The full InChI is InChI=1S/C18H24/c1-5-6-12-18(13-15(2)3)16(4)14-17-10-8-7-9-11-17/h6-13,16H,2,5,14H2,1,3-4H3/b12-6-,18-13+.
What are the key properties of [(Z,3Z)-2-methyl-3-(2-methylprop-2-enylidene)hept-4-enyl]benzene?
[(Z,3Z)-2-methyl-3-(2-methylprop-2-enylidene)hept-4-enyl]benzene has a molecular weight of 240.39 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,3Z)-2-methyl-3-(2-methylprop-2-enylidene)hept-4-enyl]benzene is sourced from PubChem (CID 143472728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).