[(E)-2,2-dimethylpent-3-enyl]benzene

C13H18 — CID 10487473

IUPAC[(E)-2,2-dimethylpent-3-enyl]benzene
SMILESC/C=C/C(C)(C)Cc1ccccc1
InChIInChI=1S/C13H18/c1-4-10-13(2,3)11-12-8-6-5-7-9-12/h4-10H,11H2,1-3H3/b10-4+
InChIKeyDBPWYJUESMHZEN-ONNFQVAWSA-N
MW174.29 g/mol
LogP3.83
Rot. Bonds3

About [(E)-2,2-dimethylpent-3-enyl]benzene

[(E)-2,2-dimethylpent-3-enyl]benzene (PubChem CID 10487473) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is [(E)-2,2-dimethylpent-3-enyl]benzene.

Molecular Properties

Compound Name[(E)-2,2-dimethylpent-3-enyl]benzene
PubChem CID10487473
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name[(E)-2,2-dimethylpent-3-enyl]benzene
SMILESC/C=C/C(C)(C)Cc1ccccc1
InChIInChI=1S/C13H18/c1-4-10-13(2,3)11-12-8-6-5-7-9-12/h4-10H,11H2,1-3H3/b10-4+
InChIKeyDBPWYJUESMHZEN-ONNFQVAWSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.83
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

(E)-4,4-dimethyl-5-phenylpent-2-enoic acid
CID 22261491
3-methyl-1-phenylhex-4-en-3-amine
CID 174938093
4-(2,2-dimethylpent-3-enyl)-1H-pyridin-2-one
CID 130252489
dimethyl-(2-methyl-1-phenylpropan-2-yl)-prop-2-enylazanium
CID 69228416
2,2-dimethylpropylbenzene;methanol
CID 157125736
(2-fluoro-2-methylpropyl)benzene
CID 14343442
N-[2-(hydroxyamino)-1-phenylpropan-2-yl]hydroxylamine
CID 141409556
2-[2-[2-(oxiran-2-yl)-1-phenylpent-3-en-2-yl]oxy-1-phenylpent-3-en-2-yl]oxirane
CID 139677646
[2-methyl-2-(2-methyl-1-phenylpropan-2-yl)sulfanylpropyl]benzene
CID 66796999
[(E)-2-phenylpent-3-en-2-yl]benzene
CID 14338227
(2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene
CID 140921791
(2-ethyl-2-methylbutyl)benzene
CID 123641908

Frequently Asked Questions

What is the IUPAC name of [(E)-2,2-dimethylpent-3-enyl]benzene?
The IUPAC name of [(E)-2,2-dimethylpent-3-enyl]benzene (CID 10487473) is [(E)-2,2-dimethylpent-3-enyl]benzene.
What is the SMILES notation for [(E)-2,2-dimethylpent-3-enyl]benzene?
The canonical SMILES for [(E)-2,2-dimethylpent-3-enyl]benzene is C/C=C/C(C)(C)Cc1ccccc1.
What is the InChIKey of [(E)-2,2-dimethylpent-3-enyl]benzene?
The InChIKey is DBPWYJUESMHZEN-ONNFQVAWSA-N. The full InChI is InChI=1S/C13H18/c1-4-10-13(2,3)11-12-8-6-5-7-9-12/h4-10H,11H2,1-3H3/b10-4+.
What are the key properties of [(E)-2,2-dimethylpent-3-enyl]benzene?
[(E)-2,2-dimethylpent-3-enyl]benzene has a molecular weight of 174.29 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2,2-dimethylpent-3-enyl]benzene is sourced from PubChem (CID 10487473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).