[(E)-2-(4-ethenyl-2,3-dimethylcyclopent-2-en-1-yl)ethenyl]benzene

C17H20 — CID 144592641

IUPAC[(E)-2-(4-ethenyl-2,3-dimethylcyclopent-2-en-1-yl)ethenyl]benzene
SMILESC=CC1CC(/C=C/c2ccccc2)C(C)=C1C
InChIInChI=1S/C17H20/c1-4-16-12-17(14(3)13(16)2)11-10-15-8-6-5-7-9-15/h4-11,16-17H,1,12H2,2-3H3/b11-10+
InChIKeyCZTPXPAHQHCMQS-ZHACJKMWSA-N
MW224.35 g/mol
LogP4.86
Rot. Bonds3

About [(E)-2-(4-ethenyl-2,3-dimethylcyclopent-2-en-1-yl)ethenyl]benzene

[(E)-2-(4-ethenyl-2,3-dimethylcyclopent-2-en-1-yl)ethenyl]benzene (PubChem CID 144592641) has the molecular formula C17H20 and a molecular weight of 224.35 g/mol. Its IUPAC name is [(E)-2-(4-ethenyl-2,3-dimethylcyclopent-2-en-1-yl)ethenyl]benzene.

Molecular Properties

Compound Name[(E)-2-(4-ethenyl-2,3-dimethylcyclopent-2-en-1-yl)ethenyl]benzene
PubChem CID144592641
Molecular FormulaC17H20
Molecular Weight224.35 g/mol
Exact Mass224.16
IUPAC Name[(E)-2-(4-ethenyl-2,3-dimethylcyclopent-2-en-1-yl)ethenyl]benzene
SMILESC=CC1CC(/C=C/c2ccccc2)C(C)=C1C
InChIInChI=1S/C17H20/c1-4-16-12-17(14(3)13(16)2)11-10-15-8-6-5-7-9-15/h4-11,16-17H,1,12H2,2-3H3/b11-10+
InChIKeyCZTPXPAHQHCMQS-ZHACJKMWSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 54.86
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-[(E)-2-phenylethenyl]cyclopropan-1-one
CID 141437037
(2R,4S,6S)-2-ethenyl-4-iodo-6-[(E)-2-phenylethenyl]oxane
CID 102324958
2-[(E)-2-phenylethenyl]cyclopropan-1-amine
CID 122640920
2-[(E)-2-phenylethenyl]cyclobutan-1-one
CID 131241395
1-ethenyl-3-(2-phenylethenyl)pyrrolidin-2-one
CID 66766755
2-[(E)-2-phenylethenyl]cyclopropan-1-amine;hydrochloride
CID 122640919
5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydrothiophene
CID 142853618
buta-1,3-diene;bis(prop-1-enylbenzene)
CID 172716960
3-[(E)-2-phenylethenyl]oxetane
CID 132578776
(3aS,4S,6R,6aR)-6-ethenyl-2-phenyl-4-[(Z)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 162435839
1-pent-4-enoyl-3-[(E)-2-phenylethenyl]pyrrolidin-2-one
CID 101054479
dimethyl 4-[(E)-2-phenylethenyl]-3-prop-1-en-2-ylcyclopent-2-ene-1,1-dicarboxylate
CID 101420980

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(4-ethenyl-2,3-dimethylcyclopent-2-en-1-yl)ethenyl]benzene?
The IUPAC name of [(E)-2-(4-ethenyl-2,3-dimethylcyclopent-2-en-1-yl)ethenyl]benzene (CID 144592641) is [(E)-2-(4-ethenyl-2,3-dimethylcyclopent-2-en-1-yl)ethenyl]benzene.
What is the SMILES notation for [(E)-2-(4-ethenyl-2,3-dimethylcyclopent-2-en-1-yl)ethenyl]benzene?
The canonical SMILES for [(E)-2-(4-ethenyl-2,3-dimethylcyclopent-2-en-1-yl)ethenyl]benzene is C=CC1CC(/C=C/c2ccccc2)C(C)=C1C.
What is the InChIKey of [(E)-2-(4-ethenyl-2,3-dimethylcyclopent-2-en-1-yl)ethenyl]benzene?
The InChIKey is CZTPXPAHQHCMQS-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H20/c1-4-16-12-17(14(3)13(16)2)11-10-15-8-6-5-7-9-15/h4-11,16-17H,1,12H2,2-3H3/b11-10+.
What are the key properties of [(E)-2-(4-ethenyl-2,3-dimethylcyclopent-2-en-1-yl)ethenyl]benzene?
[(E)-2-(4-ethenyl-2,3-dimethylcyclopent-2-en-1-yl)ethenyl]benzene has a molecular weight of 224.35 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(4-ethenyl-2,3-dimethylcyclopent-2-en-1-yl)ethenyl]benzene is sourced from PubChem (CID 144592641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).