[(1Z,3Z,5Z,7Z)-9-methyl-4-prop-1-en-2-yldeca-1,3,5,7,9-pentaenyl]benzene

C20H22 — CID 145291753

IUPAC[(1Z,3Z,5Z,7Z)-9-methyl-4-prop-1-en-2-yldeca-1,3,5,7,9-pentaenyl]benzene
SMILESC=C(C)/C=C\C=C/C(=C/C=C\c1ccccc1)C(=C)C
InChIInChI=1S/C20H22/c1-17(2)11-8-9-15-20(18(3)4)16-10-14-19-12-6-5-7-13-19/h5-16H,1,3H2,2,4H3/b11-8-,14-10-,15-9-,20-16-
InChIKeyNDORLMRSLHTHMG-CENNMZEWSA-N
MW262.40 g/mol
LogP5.89
Rot. Bonds6

About [(1Z,3Z,5Z,7Z)-9-methyl-4-prop-1-en-2-yldeca-1,3,5,7,9-pentaenyl]benzene

[(1Z,3Z,5Z,7Z)-9-methyl-4-prop-1-en-2-yldeca-1,3,5,7,9-pentaenyl]benzene (PubChem CID 145291753) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is [(1Z,3Z,5Z,7Z)-9-methyl-4-prop-1-en-2-yldeca-1,3,5,7,9-pentaenyl]benzene.

Molecular Properties

Compound Name[(1Z,3Z,5Z,7Z)-9-methyl-4-prop-1-en-2-yldeca-1,3,5,7,9-pentaenyl]benzene
PubChem CID145291753
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name[(1Z,3Z,5Z,7Z)-9-methyl-4-prop-1-en-2-yldeca-1,3,5,7,9-pentaenyl]benzene
SMILESC=C(C)/C=C\C=C/C(=C/C=C\c1ccccc1)C(=C)C
InChIInChI=1S/C20H22/c1-17(2)11-8-9-15-20(18(3)4)16-10-14-19-12-6-5-7-13-19/h5-16H,1,3H2,2,4H3/b11-8-,14-10-,15-9-,20-16-
InChIKeyNDORLMRSLHTHMG-CENNMZEWSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(1Z,3Z,5Z,7Z)-9-methyl-4-prop-1-en-2-yldeca-1,3,5,7,9-pentaenyl]benzene 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

4-methylpenta-1,3-dienylbenzene
CID 3614395
(3-methyl-6-phenylhexa-1,3,5-trienyl)benzene
CID 618811
[(1E,4Z)-6-methyl-3-methylidenehepta-1,4,6-trienyl]benzene
CID 142883812
(3Z,5E)-3-methoxy-6-phenylhexa-3,5-dien-2-one
CID 101120530
buta-1,3-dienylbenzene;2-methylprop-2-enoic acid
CID 160671566
[(1E,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]benzene
CID 143083537
5-methylideneocta-1,3,7-trienylbenzene
CID 173155039
(5-chloro-4-methylpenta-1,3-dienyl)benzene
CID 79323612
2-methylprop-2-enoic acid;3-phenylprop-2-enoic acid
CID 157125853
ethane;(3Z,5Z)-2-methylhepta-1,3,5-triene;toluene
CID 142426246
2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-5-phenylpenta-2,4-dienoate
CID 174480451
2-methylprop-1-ene;prop-1-enylbenzene
CID 159398711

Frequently Asked Questions

What is the IUPAC name of [(1Z,3Z,5Z,7Z)-9-methyl-4-prop-1-en-2-yldeca-1,3,5,7,9-pentaenyl]benzene?
The IUPAC name of [(1Z,3Z,5Z,7Z)-9-methyl-4-prop-1-en-2-yldeca-1,3,5,7,9-pentaenyl]benzene (CID 145291753) is [(1Z,3Z,5Z,7Z)-9-methyl-4-prop-1-en-2-yldeca-1,3,5,7,9-pentaenyl]benzene.
What is the SMILES notation for [(1Z,3Z,5Z,7Z)-9-methyl-4-prop-1-en-2-yldeca-1,3,5,7,9-pentaenyl]benzene?
The canonical SMILES for [(1Z,3Z,5Z,7Z)-9-methyl-4-prop-1-en-2-yldeca-1,3,5,7,9-pentaenyl]benzene is C=C(C)/C=C\C=C/C(=C/C=C\c1ccccc1)C(=C)C.
What is the InChIKey of [(1Z,3Z,5Z,7Z)-9-methyl-4-prop-1-en-2-yldeca-1,3,5,7,9-pentaenyl]benzene?
The InChIKey is NDORLMRSLHTHMG-CENNMZEWSA-N. The full InChI is InChI=1S/C20H22/c1-17(2)11-8-9-15-20(18(3)4)16-10-14-19-12-6-5-7-13-19/h5-16H,1,3H2,2,4H3/b11-8-,14-10-,15-9-,20-16-.
What are the key properties of [(1Z,3Z,5Z,7Z)-9-methyl-4-prop-1-en-2-yldeca-1,3,5,7,9-pentaenyl]benzene?
[(1Z,3Z,5Z,7Z)-9-methyl-4-prop-1-en-2-yldeca-1,3,5,7,9-pentaenyl]benzene has a molecular weight of 262.40 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,3Z,5Z,7Z)-9-methyl-4-prop-1-en-2-yldeca-1,3,5,7,9-pentaenyl]benzene is sourced from PubChem (CID 145291753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).