1-methyl-3-(2-methylhexa-2,4-dien-3-yl)benzene

C14H18 — CID 123992267

IUPAC1-methyl-3-(2-methylhexa-2,4-dien-3-yl)benzene
SMILESCC=CC(=C(C)C)c1cccc(C)c1
InChIInChI=1S/C14H18/c1-5-7-14(11(2)3)13-9-6-8-12(4)10-13/h5-10H,1-4H3
InChIKeyVASYAATUAGGQTF-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.36
Rot. Bonds2

About 1-methyl-3-(2-methylhexa-2,4-dien-3-yl)benzene

1-methyl-3-(2-methylhexa-2,4-dien-3-yl)benzene (PubChem CID 123992267) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-methyl-3-(2-methylhexa-2,4-dien-3-yl)benzene.

Molecular Properties

Compound Name1-methyl-3-(2-methylhexa-2,4-dien-3-yl)benzene
PubChem CID123992267
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name1-methyl-3-(2-methylhexa-2,4-dien-3-yl)benzene
SMILESCC=CC(=C(C)C)c1cccc(C)c1
InChIInChI=1S/C14H18/c1-5-7-14(11(2)3)13-9-6-8-12(4)10-13/h5-10H,1-4H3
InChIKeyVASYAATUAGGQTF-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
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

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CID 13143516
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CID 143291684
1-methyl-3-(1-phenylprop-1-enyl)benzene
CID 54065155
(E)-1-(3-methylphenyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]ethanimine
CID 138967495
1-methyl-3-[(2E)-5-methylhexa-2,4-dien-2-yl]benzene
CID 174069312
1,2-bis(3-methylphenyl)ethene-1,2-dithiol
CID 76563900
bis(3-methylphenyl)methanone
CID 17848
ethane;ethene;1-methyl-3-prop-1-en-2-ylbenzene
CID 142829669
1-methyl-3-[1-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]sulfanylethenyl]benzene
CID 143844986
3-methylbenzoic acid
CID 7418
(3-methylbenzoyl)azanium
CID 153183849
1-[(Z)-2-bromo-1-iodoethenyl]-3-methylbenzene
CID 102257865

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylhexa-2,4-dien-3-yl)benzene?
The IUPAC name of 1-methyl-3-(2-methylhexa-2,4-dien-3-yl)benzene (CID 123992267) is 1-methyl-3-(2-methylhexa-2,4-dien-3-yl)benzene.
What is the SMILES notation for 1-methyl-3-(2-methylhexa-2,4-dien-3-yl)benzene?
The canonical SMILES for 1-methyl-3-(2-methylhexa-2,4-dien-3-yl)benzene is CC=CC(=C(C)C)c1cccc(C)c1.
What is the InChIKey of 1-methyl-3-(2-methylhexa-2,4-dien-3-yl)benzene?
The InChIKey is VASYAATUAGGQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-5-7-14(11(2)3)13-9-6-8-12(4)10-13/h5-10H,1-4H3.
What are the key properties of 1-methyl-3-(2-methylhexa-2,4-dien-3-yl)benzene?
1-methyl-3-(2-methylhexa-2,4-dien-3-yl)benzene has a molecular weight of 186.30 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylhexa-2,4-dien-3-yl)benzene is sourced from PubChem (CID 123992267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).