1-methyl-3-[(2E)-5-methylhexa-2,4-dien-2-yl]benzene

C14H18 — CID 174069312

IUPAC1-methyl-3-[(2E)-5-methylhexa-2,4-dien-2-yl]benzene
SMILESCC(C)=C/C=C(\C)c1cccc(C)c1
InChIInChI=1S/C14H18/c1-11(2)8-9-13(4)14-7-5-6-12(3)10-14/h5-10H,1-4H3/b13-9+
InChIKeyRAMOCBVDSMHMHX-UKTHLTGXSA-N
MW186.30 g/mol
LogP4.36
Rot. Bonds2

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

1-methyl-3-[(2E)-5-methylhexa-2,4-dien-2-yl]benzene (PubChem CID 174069312) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-methyl-3-[(2E)-5-methylhexa-2,4-dien-2-yl]benzene.

Molecular Properties

Compound Name1-methyl-3-[(2E)-5-methylhexa-2,4-dien-2-yl]benzene
PubChem CID174069312
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name1-methyl-3-[(2E)-5-methylhexa-2,4-dien-2-yl]benzene
SMILESCC(C)=C/C=C(\C)c1cccc(C)c1
InChIInChI=1S/C14H18/c1-11(2)8-9-13(4)14-7-5-6-12(3)10-14/h5-10H,1-4H3/b13-9+
InChIKeyRAMOCBVDSMHMHX-UKTHLTGXSA-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

3-[(2E)-5-methylhexa-2,4-dien-2-yl]benzenethiol
CID 170288116
1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methylbenzene
CID 144614212
ethane;1-methyl-3-[(2E,4E)-7-methylocta-2,4,6-trien-4-yl]benzene
CID 143291684
bis(3-methylphenyl)methanone
CID 17848
4-(3-methylphenyl)pent-3-en-1-amine
CID 76996989
1-(5-chloropent-2-en-2-yl)-3-methylbenzene
CID 79002012
3-methylbenzoic acid
CID 7418
(3-methylbenzoyl)azanium
CID 153183849
ethane;1-(3-methylphenyl)ethanone;molecular hydrogen
CID 143647766
(E)-1-(3-methylphenyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]ethanimine
CID 138967495
3-methylbenzenecarboselenoic Se-acid
CID 166513879
1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene
CID 143180234

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2E)-5-methylhexa-2,4-dien-2-yl]benzene?
The IUPAC name of 1-methyl-3-[(2E)-5-methylhexa-2,4-dien-2-yl]benzene (CID 174069312) is 1-methyl-3-[(2E)-5-methylhexa-2,4-dien-2-yl]benzene.
What is the SMILES notation for 1-methyl-3-[(2E)-5-methylhexa-2,4-dien-2-yl]benzene?
The canonical SMILES for 1-methyl-3-[(2E)-5-methylhexa-2,4-dien-2-yl]benzene is CC(C)=C/C=C(\C)c1cccc(C)c1.
What is the InChIKey of 1-methyl-3-[(2E)-5-methylhexa-2,4-dien-2-yl]benzene?
The InChIKey is RAMOCBVDSMHMHX-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H18/c1-11(2)8-9-13(4)14-7-5-6-12(3)10-14/h5-10H,1-4H3/b13-9+.
What are the key properties of 1-methyl-3-[(2E)-5-methylhexa-2,4-dien-2-yl]benzene?
1-methyl-3-[(2E)-5-methylhexa-2,4-dien-2-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-[(2E)-5-methylhexa-2,4-dien-2-yl]benzene is sourced from PubChem (CID 174069312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).