1-methyl-2-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]benzene

C14H16 — CID 142567671

IUPAC1-methyl-2-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]benzene
SMILESC=C/C(C)=C\C(=C)c1ccccc1C
InChIInChI=1S/C14H16/c1-5-11(2)10-13(4)14-9-7-6-8-12(14)3/h5-10H,1,4H2,2-3H3/b11-10-
InChIKeyXSTSILOWBPQRSS-KHPPLWFESA-N
MW184.28 g/mol
LogP4.14
Rot. Bonds3

About 1-methyl-2-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]benzene

1-methyl-2-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]benzene (PubChem CID 142567671) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-methyl-2-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]benzene.

Molecular Properties

Compound Name1-methyl-2-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]benzene
PubChem CID142567671
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name1-methyl-2-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]benzene
SMILESC=C/C(C)=C\C(=C)c1ccccc1C
InChIInChI=1S/C14H16/c1-5-11(2)10-13(4)14-9-7-6-8-12(14)3/h5-10H,1,4H2,2-3H3/b11-10-
InChIKeyXSTSILOWBPQRSS-KHPPLWFESA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 54.14
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

(2E)-N,2-dimethyl-4-(2-methylphenyl)penta-2,4-dien-1-amine
CID 145429144
1-methyl-2-[(3E,5Z)-4-(2-methylphenyl)hepta-1,3,5-trien-2-yl]benzene
CID 144508222
ethane;1-(2-methylphenyl)ethanone;prop-1-ene
CID 171517790
ethene;1-methyl-2-prop-1-en-2-ylbenzene
CID 142947701
2-methylidene-1-(2-methylphenyl)but-3-en-1-one
CID 163236678
1-[(3Z,5E)-5-ethenyl-2-methylocta-1,3,5,7-tetraen-4-yl]-2-methylbenzene
CID 143924136
1-methyl-2-[(Z)-5-methyl-4-methylidenehex-2-en-2-yl]benzene
CID 163229113
(2Z,5E,6Z)-N-ethenyl-8-(2-methylphenyl)-5-[2-(2-methylphenyl)prop-2-enylidene]nona-2,6,8-trien-4-imine
CID 155027630
1-[(E)-but-2-en-2-yl]-2-methylbenzene
CID 12835573
1-methyl-2-[(3E)-3-methylhepta-1,3,6-trien-4-yl]benzene
CID 145272429
1-ethenyl-2-methylbenzene;2-methylprop-1-ene;hydrobromide
CID 174713948
2-methylbuta-1,3-diene;naphthalene
CID 159864264

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]benzene?
The IUPAC name of 1-methyl-2-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]benzene (CID 142567671) is 1-methyl-2-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]benzene.
What is the SMILES notation for 1-methyl-2-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]benzene?
The canonical SMILES for 1-methyl-2-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]benzene is C=C/C(C)=C\C(=C)c1ccccc1C.
What is the InChIKey of 1-methyl-2-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]benzene?
The InChIKey is XSTSILOWBPQRSS-KHPPLWFESA-N. The full InChI is InChI=1S/C14H16/c1-5-11(2)10-13(4)14-9-7-6-8-12(14)3/h5-10H,1,4H2,2-3H3/b11-10-.
What are the key properties of 1-methyl-2-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]benzene?
1-methyl-2-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]benzene has a molecular weight of 184.28 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]benzene is sourced from PubChem (CID 142567671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).