[(8Z)-3,6,10-trimethyl-7-methylideneundeca-8,10-dienyl]benzene

C21H30 — CID 145464220

IUPAC[(8Z)-3,6,10-trimethyl-7-methylideneundeca-8,10-dienyl]benzene
SMILESC=C(C)/C=C\C(=C)C(C)CCC(C)CCc1ccccc1
InChIInChI=1S/C21H30/c1-17(2)11-14-19(4)20(5)15-12-18(3)13-16-21-9-7-6-8-10-21/h6-11,14,18,20H,1,4,12-13,15-16H2,2-3,5H3/b14-11-
InChIKeyWOMPIKXPJAHIIW-KAMYIIQDSA-N
MW282.47 g/mol
LogP6.36
Rot. Bonds9

About [(8Z)-3,6,10-trimethyl-7-methylideneundeca-8,10-dienyl]benzene

[(8Z)-3,6,10-trimethyl-7-methylideneundeca-8,10-dienyl]benzene (PubChem CID 145464220) has the molecular formula C21H30 and a molecular weight of 282.47 g/mol. Its IUPAC name is [(8Z)-3,6,10-trimethyl-7-methylideneundeca-8,10-dienyl]benzene.

Molecular Properties

Compound Name[(8Z)-3,6,10-trimethyl-7-methylideneundeca-8,10-dienyl]benzene
PubChem CID145464220
Molecular FormulaC21H30
Molecular Weight282.47 g/mol
Exact Mass282.23
IUPAC Name[(8Z)-3,6,10-trimethyl-7-methylideneundeca-8,10-dienyl]benzene
SMILESC=C(C)/C=C\C(=C)C(C)CCC(C)CCc1ccccc1
InChIInChI=1S/C21H30/c1-17(2)11-14-19(4)20(5)15-12-18(3)13-16-21-9-7-6-8-10-21/h6-11,14,18,20H,1,4,12-13,15-16H2,2-3,5H3/b14-11-
InChIKeyWOMPIKXPJAHIIW-KAMYIIQDSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 56.36
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

2,4-dimethyl-6-phenylhexanoic acid
CID 174481116
2-methyl-4-phenylbutanoic acid
CID 66896591
(3Z)-8-methoxy-2,6-dimethyl-5-methylideneocta-1,3-diene
CID 145192071
[(E)-4,5-dimethylhex-3-enyl]benzene
CID 14959713
[6-(benzenesulfonyl)-3-methylhept-6-enyl]benzene
CID 101203981
(3Z,7Z)-2,10,13-trimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraene
CID 145009658
(3Z)-6,9-dimethyl-2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxy-5-methylidenedeca-1,3-diene
CID 144754217
(2R)-4-phenylbutane-2-thiol
CID 28974861
ethene;3-methylbutylbenzene
CID 145421013
(3-ethyl-4-methylpent-4-enyl)benzene
CID 123220776
(3S)-4-methyl-1-phenylhex-5-en-3-ol
CID 177392866
(4S)-4-methyl-1-phenylhex-5-en-3-ol
CID 12938739

Frequently Asked Questions

What is the IUPAC name of [(8Z)-3,6,10-trimethyl-7-methylideneundeca-8,10-dienyl]benzene?
The IUPAC name of [(8Z)-3,6,10-trimethyl-7-methylideneundeca-8,10-dienyl]benzene (CID 145464220) is [(8Z)-3,6,10-trimethyl-7-methylideneundeca-8,10-dienyl]benzene.
What is the SMILES notation for [(8Z)-3,6,10-trimethyl-7-methylideneundeca-8,10-dienyl]benzene?
The canonical SMILES for [(8Z)-3,6,10-trimethyl-7-methylideneundeca-8,10-dienyl]benzene is C=C(C)/C=C\C(=C)C(C)CCC(C)CCc1ccccc1.
What is the InChIKey of [(8Z)-3,6,10-trimethyl-7-methylideneundeca-8,10-dienyl]benzene?
The InChIKey is WOMPIKXPJAHIIW-KAMYIIQDSA-N. The full InChI is InChI=1S/C21H30/c1-17(2)11-14-19(4)20(5)15-12-18(3)13-16-21-9-7-6-8-10-21/h6-11,14,18,20H,1,4,12-13,15-16H2,2-3,5H3/b14-11-.
What are the key properties of [(8Z)-3,6,10-trimethyl-7-methylideneundeca-8,10-dienyl]benzene?
[(8Z)-3,6,10-trimethyl-7-methylideneundeca-8,10-dienyl]benzene has a molecular weight of 282.47 g/mol, XLogP of 6.36, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(8Z)-3,6,10-trimethyl-7-methylideneundeca-8,10-dienyl]benzene is sourced from PubChem (CID 145464220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).