1-methyl-2-[(1E,3Z,5Z)-2-methylhepta-1,3,5-trienyl]benzene

C15H18 — CID 143906024

IUPAC1-methyl-2-[(1E,3Z,5Z)-2-methylhepta-1,3,5-trienyl]benzene
SMILESC/C=C\C=C/C(C)=C/c1ccccc1C
InChIInChI=1S/C15H18/c1-4-5-6-9-13(2)12-15-11-8-7-10-14(15)3/h4-12H,1-3H3/b5-4-,9-6-,13-12+
InChIKeyGXBDLXNXVVDPQC-JEDZOMHESA-N
MW198.31 g/mol
LogP4.53
Rot. Bonds3

About 1-methyl-2-[(1E,3Z,5Z)-2-methylhepta-1,3,5-trienyl]benzene

1-methyl-2-[(1E,3Z,5Z)-2-methylhepta-1,3,5-trienyl]benzene (PubChem CID 143906024) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-methyl-2-[(1E,3Z,5Z)-2-methylhepta-1,3,5-trienyl]benzene.

Molecular Properties

Compound Name1-methyl-2-[(1E,3Z,5Z)-2-methylhepta-1,3,5-trienyl]benzene
PubChem CID143906024
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name1-methyl-2-[(1E,3Z,5Z)-2-methylhepta-1,3,5-trienyl]benzene
SMILESC/C=C\C=C/C(C)=C/c1ccccc1C
InChIInChI=1S/C15H18/c1-4-5-6-9-13(2)12-15-11-8-7-10-14(15)3/h4-12H,1-3H3/b5-4-,9-6-,13-12+
InChIKeyGXBDLXNXVVDPQC-JEDZOMHESA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.53
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

1-(2,7-dimethylnona-1,3,5,7-tetraenyl)-2-methylbenzene
CID 123138656
1-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-2-methylbenzene
CID 162730424
1-methyl-2-[(1E,3Z,5Z)-2-methylhepta-1,3,5-trienyl]-4-[(3Z,5Z)-4-methylhepta-1,3,5-trien-3-yl]benzene
CID 145299580
benzene;ethane;1-methyl-2-(2-methylprop-1-enyl)benzene
CID 144639766
2-methylprop-1-ene;1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 144743897
1-methyl-2-(2-methylbut-1-enyl)benzene
CID 123992258
1,3-dimethyl-2-[(4Z,6E)-2-methylocta-2,4,6-trien-3-yl]benzene
CID 143026644
1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methylbenzene
CID 131387958
ethane;1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 145388668
CID 59860921
CID 59860921
ethane;(3Z,5Z)-2-methylhepta-1,3,5-triene;toluene
CID 142426246
1-[2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-4-methylbenzene
CID 173169574

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(1E,3Z,5Z)-2-methylhepta-1,3,5-trienyl]benzene?
The IUPAC name of 1-methyl-2-[(1E,3Z,5Z)-2-methylhepta-1,3,5-trienyl]benzene (CID 143906024) is 1-methyl-2-[(1E,3Z,5Z)-2-methylhepta-1,3,5-trienyl]benzene.
What is the SMILES notation for 1-methyl-2-[(1E,3Z,5Z)-2-methylhepta-1,3,5-trienyl]benzene?
The canonical SMILES for 1-methyl-2-[(1E,3Z,5Z)-2-methylhepta-1,3,5-trienyl]benzene is C/C=C\C=C/C(C)=C/c1ccccc1C.
What is the InChIKey of 1-methyl-2-[(1E,3Z,5Z)-2-methylhepta-1,3,5-trienyl]benzene?
The InChIKey is GXBDLXNXVVDPQC-JEDZOMHESA-N. The full InChI is InChI=1S/C15H18/c1-4-5-6-9-13(2)12-15-11-8-7-10-14(15)3/h4-12H,1-3H3/b5-4-,9-6-,13-12+.
What are the key properties of 1-methyl-2-[(1E,3Z,5Z)-2-methylhepta-1,3,5-trienyl]benzene?
1-methyl-2-[(1E,3Z,5Z)-2-methylhepta-1,3,5-trienyl]benzene has a molecular weight of 198.31 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(1E,3Z,5Z)-2-methylhepta-1,3,5-trienyl]benzene is sourced from PubChem (CID 143906024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).