[(E)-4-cyclopropylbut-3-enyl]benzene

C13H16 — CID 169432340

IUPAC[(E)-4-cyclopropylbut-3-enyl]benzene
SMILESC(=C/C1CC1)\CCc1ccccc1
InChIInChI=1S/C13H16/c1-2-6-12(7-3-1)8-4-5-9-13-10-11-13/h1-3,5-7,9,13H,4,8,10-11H2/b9-5+
InChIKeyUSQDKZDEGHBATQ-WEVVVXLNSA-N
MW172.27 g/mol
LogP3.59
Rot. Bonds4

About [(E)-4-cyclopropylbut-3-enyl]benzene

[(E)-4-cyclopropylbut-3-enyl]benzene (PubChem CID 169432340) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is [(E)-4-cyclopropylbut-3-enyl]benzene.

Molecular Properties

Compound Name[(E)-4-cyclopropylbut-3-enyl]benzene
PubChem CID169432340
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name[(E)-4-cyclopropylbut-3-enyl]benzene
SMILESC(=C/C1CC1)\CCc1ccccc1
InChIInChI=1S/C13H16/c1-2-6-12(7-3-1)8-4-5-9-13-10-11-13/h1-3,5-7,9,13H,4,8,10-11H2/b9-5+
InChIKeyUSQDKZDEGHBATQ-WEVVVXLNSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.59
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

3-(4-hexa-1,5-dienylcyclohexyl)propylbenzene
CID 57017107
pent-3-enylbenzene
CID 519421
[(Z)-5-methylhex-3-enyl]benzene
CID 13403768
[(E)-5-chloropent-3-enyl]benzene
CID 101263863
methyl (2S)-2-(4-phenylbut-1-enyl)cyclopentane-1-carboxylate
CID 54553622
1-fluoro-4-[(E)-4-(4-pentylcyclohexyl)but-3-enyl]benzene
CID 67786063
1-chloro-4-[(E)-4-(4-pentylcyclohexyl)but-3-enyl]benzene
CID 67787226
1-iodo-4-[4-(4-pentylcyclohexyl)but-3-enyl]benzene
CID 54022036
1-(4-pent-1-enylcyclohexyl)-2-(4-propylphenyl)benzene
CID 173333209
7-phenylhepta-2,4-dien-1-ol
CID 123622539
hepta-3,5-dienylbenzene
CID 54230830
[(3E,5Z)-hepta-3,5-dienyl]benzene
CID 12021636

Frequently Asked Questions

What is the IUPAC name of [(E)-4-cyclopropylbut-3-enyl]benzene?
The IUPAC name of [(E)-4-cyclopropylbut-3-enyl]benzene (CID 169432340) is [(E)-4-cyclopropylbut-3-enyl]benzene.
What is the SMILES notation for [(E)-4-cyclopropylbut-3-enyl]benzene?
The canonical SMILES for [(E)-4-cyclopropylbut-3-enyl]benzene is C(=C/C1CC1)\CCc1ccccc1.
What is the InChIKey of [(E)-4-cyclopropylbut-3-enyl]benzene?
The InChIKey is USQDKZDEGHBATQ-WEVVVXLNSA-N. The full InChI is InChI=1S/C13H16/c1-2-6-12(7-3-1)8-4-5-9-13-10-11-13/h1-3,5-7,9,13H,4,8,10-11H2/b9-5+.
What are the key properties of [(E)-4-cyclopropylbut-3-enyl]benzene?
[(E)-4-cyclopropylbut-3-enyl]benzene has a molecular weight of 172.27 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-cyclopropylbut-3-enyl]benzene is sourced from PubChem (CID 169432340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).