[(E)-3-(1,2-dimethylcyclopent-2-en-1-yl)prop-1-enyl]benzene

C16H20 — CID 138964219

IUPAC[(E)-3-(1,2-dimethylcyclopent-2-en-1-yl)prop-1-enyl]benzene
SMILESCC1=CCCC1(C)C/C=C/c1ccccc1
InChIInChI=1S/C16H20/c1-14-8-6-12-16(14,2)13-7-11-15-9-4-3-5-10-15/h3-5,7-11H,6,12-13H2,1-2H3/b11-7+
InChIKeyLVOSSDKPRUKFME-YRNVUSSQSA-N
MW212.34 g/mol
LogP4.84
Rot. Bonds3

About [(E)-3-(1,2-dimethylcyclopent-2-en-1-yl)prop-1-enyl]benzene

[(E)-3-(1,2-dimethylcyclopent-2-en-1-yl)prop-1-enyl]benzene (PubChem CID 138964219) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is [(E)-3-(1,2-dimethylcyclopent-2-en-1-yl)prop-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-3-(1,2-dimethylcyclopent-2-en-1-yl)prop-1-enyl]benzene
PubChem CID138964219
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name[(E)-3-(1,2-dimethylcyclopent-2-en-1-yl)prop-1-enyl]benzene
SMILESCC1=CCCC1(C)C/C=C/c1ccccc1
InChIInChI=1S/C16H20/c1-14-8-6-12-16(14,2)13-7-11-15-9-4-3-5-10-15/h3-5,7-11H,6,12-13H2,1-2H3/b11-7+
InChIKeyLVOSSDKPRUKFME-YRNVUSSQSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.84
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

(1,2-dimethylcyclopent-2-en-1-yl)methylbenzene
CID 138964298
[(E)-4-(2-methyl-1-prop-2-ynoxycyclopent-2-en-1-yl)but-1-enyl]benzene
CID 101348479
1-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexan-1-amine
CID 55060313
2-ethyl-2-[(E)-3-phenylprop-2-enyl]oxetane
CID 22177287
ethyl 1-[(E)-3-phenylprop-2-enyl]cyclopropane-1-carboxylate
CID 134865085
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
4,4-bis[(E)-3-phenylprop-2-enyl]-3,5-dihydro-2H-furan-1-ium-5-ide
CID 101200919
benzene;but-1-enylbenzene
CID 157481332
ethane;[(E)-3-phenylprop-1-enyl]benzene
CID 143041114
ethoxyethane;1-methyl-1-[(E)-3-phenylprop-2-enyl]-2H-pyrene
CID 68610862
1-methyl-4-[[(E)-3-phenylprop-2-enyl]amino]cyclohexan-1-ol
CID 142884549
5-methoxy-2,3-dimethyl-3-[(E)-3-phenylprop-2-enyl]indole
CID 132601084

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(1,2-dimethylcyclopent-2-en-1-yl)prop-1-enyl]benzene?
The IUPAC name of [(E)-3-(1,2-dimethylcyclopent-2-en-1-yl)prop-1-enyl]benzene (CID 138964219) is [(E)-3-(1,2-dimethylcyclopent-2-en-1-yl)prop-1-enyl]benzene.
What is the SMILES notation for [(E)-3-(1,2-dimethylcyclopent-2-en-1-yl)prop-1-enyl]benzene?
The canonical SMILES for [(E)-3-(1,2-dimethylcyclopent-2-en-1-yl)prop-1-enyl]benzene is CC1=CCCC1(C)C/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-(1,2-dimethylcyclopent-2-en-1-yl)prop-1-enyl]benzene?
The InChIKey is LVOSSDKPRUKFME-YRNVUSSQSA-N. The full InChI is InChI=1S/C16H20/c1-14-8-6-12-16(14,2)13-7-11-15-9-4-3-5-10-15/h3-5,7-11H,6,12-13H2,1-2H3/b11-7+.
What are the key properties of [(E)-3-(1,2-dimethylcyclopent-2-en-1-yl)prop-1-enyl]benzene?
[(E)-3-(1,2-dimethylcyclopent-2-en-1-yl)prop-1-enyl]benzene has a molecular weight of 212.34 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(1,2-dimethylcyclopent-2-en-1-yl)prop-1-enyl]benzene is sourced from PubChem (CID 138964219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).