1-(5-cyclopenta-1,3-dien-1-ylpent-1-en-2-yl)-4-[(E)-3-methylbut-1-enyl]benzene

C21H26 — CID 143048479

IUPAC1-(5-cyclopenta-1,3-dien-1-ylpent-1-en-2-yl)-4-[(E)-3-methylbut-1-enyl]benzene
SMILESC=C(CCCC1=CC=CC1)c1ccc(/C=C/C(C)C)cc1
InChIInChI=1S/C21H26/c1-17(2)11-12-20-13-15-21(16-14-20)18(3)7-6-10-19-8-4-5-9-19/h4-5,8,11-17H,3,6-7,9-10H2,1-2H3/b12-11+
InChIKeyKLBZXFHPOIWNQL-VAWYXSNFSA-N
MW278.44 g/mol
LogP6.43
Rot. Bonds7

About 1-(5-cyclopenta-1,3-dien-1-ylpent-1-en-2-yl)-4-[(E)-3-methylbut-1-enyl]benzene

1-(5-cyclopenta-1,3-dien-1-ylpent-1-en-2-yl)-4-[(E)-3-methylbut-1-enyl]benzene (PubChem CID 143048479) has the molecular formula C21H26 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(5-cyclopenta-1,3-dien-1-ylpent-1-en-2-yl)-4-[(E)-3-methylbut-1-enyl]benzene.

Molecular Properties

Compound Name1-(5-cyclopenta-1,3-dien-1-ylpent-1-en-2-yl)-4-[(E)-3-methylbut-1-enyl]benzene
PubChem CID143048479
Molecular FormulaC21H26
Molecular Weight278.44 g/mol
Exact Mass278.20
IUPAC Name1-(5-cyclopenta-1,3-dien-1-ylpent-1-en-2-yl)-4-[(E)-3-methylbut-1-enyl]benzene
SMILESC=C(CCCC1=CC=CC1)c1ccc(/C=C/C(C)C)cc1
InChIInChI=1S/C21H26/c1-17(2)11-12-20-13-15-21(16-14-20)18(3)7-6-10-19-8-4-5-9-19/h4-5,8,11-17H,3,6-7,9-10H2,1-2H3/b12-11+
InChIKeyKLBZXFHPOIWNQL-VAWYXSNFSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(5-cyclopenta-1,3-dien-1-ylpent-1-en-2-yl)-4-[(E)-3-methylbut-1-enyl]benzene with MolForge

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Related Compounds

1-but-3-enyl-2-[2-[4-[(E)-3-methylbut-1-enyl]phenyl]prop-2-enyl]benzene
CID 143048502
1-(2-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene
CID 12744927
1-[(E)-3,3-dimethylbut-1-enyl]-4-hex-1-en-2-ylbenzene
CID 143048461
4-(3-methylbut-1-enyl)phenol
CID 57250794
methyl 4-[(Z)-3-methylbut-1-enyl]benzoate
CID 11321666
1-[4-[(E)-3-methylbut-1-enyl]phenyl]-N-[(4-propan-2-ylphenyl)methyl]ethenamine
CID 143048599
1-(4-iodobutyl)cyclopenta-1,3-diene
CID 158882988
4-[(E)-3-methylbut-1-enyl]-N-propan-2-ylbenzamide
CID 59811427
cyclopenta-1,3-dien-1-ylmethyl 4-ethenylbenzoate
CID 90224063
1-methyl-4-[7-(4-methylphenyl)octa-1,7-dien-2-yl]benzene
CID 15247721
3-cyclopenta-1,3-dien-1-ylpropyl(trimethyl)silane
CID 162074048
N-tert-butyl-4-[(E)-3-methylbut-1-enyl]benzamide
CID 59811412

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopenta-1,3-dien-1-ylpent-1-en-2-yl)-4-[(E)-3-methylbut-1-enyl]benzene?
The IUPAC name of 1-(5-cyclopenta-1,3-dien-1-ylpent-1-en-2-yl)-4-[(E)-3-methylbut-1-enyl]benzene (CID 143048479) is 1-(5-cyclopenta-1,3-dien-1-ylpent-1-en-2-yl)-4-[(E)-3-methylbut-1-enyl]benzene.
What is the SMILES notation for 1-(5-cyclopenta-1,3-dien-1-ylpent-1-en-2-yl)-4-[(E)-3-methylbut-1-enyl]benzene?
The canonical SMILES for 1-(5-cyclopenta-1,3-dien-1-ylpent-1-en-2-yl)-4-[(E)-3-methylbut-1-enyl]benzene is C=C(CCCC1=CC=CC1)c1ccc(/C=C/C(C)C)cc1.
What is the InChIKey of 1-(5-cyclopenta-1,3-dien-1-ylpent-1-en-2-yl)-4-[(E)-3-methylbut-1-enyl]benzene?
The InChIKey is KLBZXFHPOIWNQL-VAWYXSNFSA-N. The full InChI is InChI=1S/C21H26/c1-17(2)11-12-20-13-15-21(16-14-20)18(3)7-6-10-19-8-4-5-9-19/h4-5,8,11-17H,3,6-7,9-10H2,1-2H3/b12-11+.
What are the key properties of 1-(5-cyclopenta-1,3-dien-1-ylpent-1-en-2-yl)-4-[(E)-3-methylbut-1-enyl]benzene?
1-(5-cyclopenta-1,3-dien-1-ylpent-1-en-2-yl)-4-[(E)-3-methylbut-1-enyl]benzene has a molecular weight of 278.44 g/mol, XLogP of 6.43, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopenta-1,3-dien-1-ylpent-1-en-2-yl)-4-[(E)-3-methylbut-1-enyl]benzene is sourced from PubChem (CID 143048479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).