1,3-dimethyl-2-(4-methylpenta-1,3-dien-2-yl)benzene

C14H18 — CID 174000600

IUPAC1,3-dimethyl-2-(4-methylpenta-1,3-dien-2-yl)benzene
SMILESC=C(C=C(C)C)c1c(C)cccc1C
InChIInChI=1S/C14H18/c1-10(2)9-13(5)14-11(3)7-6-8-12(14)4/h6-9H,5H2,1-4H3
InChIKeyFYZMBKIOLXNWEQ-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.28
Rot. Bonds2

About 1,3-dimethyl-2-(4-methylpenta-1,3-dien-2-yl)benzene

1,3-dimethyl-2-(4-methylpenta-1,3-dien-2-yl)benzene (PubChem CID 174000600) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1,3-dimethyl-2-(4-methylpenta-1,3-dien-2-yl)benzene.

Molecular Properties

Compound Name1,3-dimethyl-2-(4-methylpenta-1,3-dien-2-yl)benzene
PubChem CID174000600
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name1,3-dimethyl-2-(4-methylpenta-1,3-dien-2-yl)benzene
SMILESC=C(C=C(C)C)c1c(C)cccc1C
InChIInChI=1S/C14H18/c1-10(2)9-13(5)14-11(3)7-6-8-12(14)4/h6-9H,5H2,1-4H3
InChIKeyFYZMBKIOLXNWEQ-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.28
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

1,2,3,4,5-pentamethyl-6-(4-methylpenta-1,3-dien-2-yl)benzene
CID 162268770
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CID 144517802
2-buta-1,3-dien-2-yl-1-ethenyl-3-methylbenzene
CID 145265911
1-(2,6-dimethylphenyl)ethenamine
CID 70299963
2-[(Z)-but-2-en-2-yl]-1,3-dimethylbenzene;ethane
CID 144812182
2-(2,6-dimethylphenyl)-N-methylprop-2-en-1-amine
CID 164584980
1-bromo-3-methyl-2-prop-1-en-2-ylbenzene
CID 139505974
ethane;1-fluoro-3-methyl-2-prop-1-en-2-ylbenzene
CID 163302643
1-chloro-3-methyl-2-prop-1-en-2-ylbenzene;propane
CID 163302600
1-ethenyl-2-methylbenzene;2-methylprop-1-ene;hydrobromide
CID 174713948
carbanide;1-(2,6-dimethylphenyl)ethanone;yttrium
CID 159397931
(3-methyl-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide
CID 162333349

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-(4-methylpenta-1,3-dien-2-yl)benzene?
The IUPAC name of 1,3-dimethyl-2-(4-methylpenta-1,3-dien-2-yl)benzene (CID 174000600) is 1,3-dimethyl-2-(4-methylpenta-1,3-dien-2-yl)benzene.
What is the SMILES notation for 1,3-dimethyl-2-(4-methylpenta-1,3-dien-2-yl)benzene?
The canonical SMILES for 1,3-dimethyl-2-(4-methylpenta-1,3-dien-2-yl)benzene is C=C(C=C(C)C)c1c(C)cccc1C.
What is the InChIKey of 1,3-dimethyl-2-(4-methylpenta-1,3-dien-2-yl)benzene?
The InChIKey is FYZMBKIOLXNWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-10(2)9-13(5)14-11(3)7-6-8-12(14)4/h6-9H,5H2,1-4H3.
What are the key properties of 1,3-dimethyl-2-(4-methylpenta-1,3-dien-2-yl)benzene?
1,3-dimethyl-2-(4-methylpenta-1,3-dien-2-yl)benzene has a molecular weight of 186.30 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-(4-methylpenta-1,3-dien-2-yl)benzene is sourced from PubChem (CID 174000600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).