[(1Z)-2-methylpenta-1,4-dienyl]benzene

C12H14 — CID 14247244

IUPAC[(1Z)-2-methylpenta-1,4-dienyl]benzene
SMILESC=CC/C(C)=C\c1ccccc1
InChIInChI=1S/C12H14/c1-3-7-11(2)10-12-8-5-4-6-9-12/h3-6,8-10H,1,7H2,2H3/b11-10-
InChIKeyHEFNUDYLWGTPRK-KHPPLWFESA-N
MW158.24 g/mol
LogP3.67
Rot. Bonds3

About [(1Z)-2-methylpenta-1,4-dienyl]benzene

[(1Z)-2-methylpenta-1,4-dienyl]benzene (PubChem CID 14247244) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is [(1Z)-2-methylpenta-1,4-dienyl]benzene.

Molecular Properties

Compound Name[(1Z)-2-methylpenta-1,4-dienyl]benzene
PubChem CID14247244
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name[(1Z)-2-methylpenta-1,4-dienyl]benzene
SMILESC=CC/C(C)=C\c1ccccc1
InChIInChI=1S/C12H14/c1-3-7-11(2)10-12-8-5-4-6-9-12/h3-6,8-10H,1,7H2,2H3/b11-10-
InChIKeyHEFNUDYLWGTPRK-KHPPLWFESA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2-methyl-3-phenylprop-1-enyl)benzene
CID 15841501
[(E)-3-bromo-2-methylprop-1-enyl]benzene
CID 10910824
2-[(1E)-2-methylpenta-1,4-dienyl]benzenethiol
CID 56984915
N-[(E)-2-methyl-3-phenylprop-2-enyl]pent-4-en-2-amine
CID 115633162
[(E)-2-prop-2-enoxyprop-1-enyl]benzene
CID 67861596
2-prop-2-enoxyprop-1-enylbenzene
CID 54107703
3-[(E)-2-methyl-3-phenylprop-2-enyl]-2-prop-2-enyl-1-benzofuran
CID 134900679
5-methyl-2-methylidene-6-phenylhex-5-enoic acid
CID 67161387
3-methyl-4-phenylbut-3-enamide
CID 23660
trimethyl-[(E)-3-methyl-4-phenylbut-3-enyl]silane
CID 102166137
(2-methyl-3-phenylprop-2-enyl) acetate
CID 3085847
N-tert-butyl-2-methyl-3-phenylprop-2-en-1-amine
CID 72556558

Frequently Asked Questions

What is the IUPAC name of [(1Z)-2-methylpenta-1,4-dienyl]benzene?
The IUPAC name of [(1Z)-2-methylpenta-1,4-dienyl]benzene (CID 14247244) is [(1Z)-2-methylpenta-1,4-dienyl]benzene.
What is the SMILES notation for [(1Z)-2-methylpenta-1,4-dienyl]benzene?
The canonical SMILES for [(1Z)-2-methylpenta-1,4-dienyl]benzene is C=CC/C(C)=C\c1ccccc1.
What is the InChIKey of [(1Z)-2-methylpenta-1,4-dienyl]benzene?
The InChIKey is HEFNUDYLWGTPRK-KHPPLWFESA-N. The full InChI is InChI=1S/C12H14/c1-3-7-11(2)10-12-8-5-4-6-9-12/h3-6,8-10H,1,7H2,2H3/b11-10-.
What are the key properties of [(1Z)-2-methylpenta-1,4-dienyl]benzene?
[(1Z)-2-methylpenta-1,4-dienyl]benzene has a molecular weight of 158.24 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-2-methylpenta-1,4-dienyl]benzene is sourced from PubChem (CID 14247244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).