4-[(E)-hept-3-en-4-yl]-1-pentyl-2-propylbenzene

C21H34 — CID 143116138

IUPAC4-[(E)-hept-3-en-4-yl]-1-pentyl-2-propylbenzene
SMILESCC/C=C(\CCC)c1ccc(CCCCC)c(CCC)c1
InChIInChI=1S/C21H34/c1-5-9-10-14-19-15-16-21(17-20(19)13-8-4)18(11-6-2)12-7-3/h11,15-17H,5-10,12-14H2,1-4H3/b18-11+
InChIKeyKVQHRAYJAHSSDS-WOJGMQOQSA-N
MW286.50 g/mol
LogP6.97
Rot. Bonds10

About 4-[(E)-hept-3-en-4-yl]-1-pentyl-2-propylbenzene

4-[(E)-hept-3-en-4-yl]-1-pentyl-2-propylbenzene (PubChem CID 143116138) has the molecular formula C21H34 and a molecular weight of 286.50 g/mol. Its IUPAC name is 4-[(E)-hept-3-en-4-yl]-1-pentyl-2-propylbenzene.

Molecular Properties

Compound Name4-[(E)-hept-3-en-4-yl]-1-pentyl-2-propylbenzene
PubChem CID143116138
Molecular FormulaC21H34
Molecular Weight286.50 g/mol
Exact Mass286.27
IUPAC Name4-[(E)-hept-3-en-4-yl]-1-pentyl-2-propylbenzene
SMILESCC/C=C(\CCC)c1ccc(CCCCC)c(CCC)c1
InChIInChI=1S/C21H34/c1-5-9-10-14-19-15-16-21(17-20(19)13-8-4)18(11-6-2)12-7-3/h11,15-17H,5-10,12-14H2,1-4H3/b18-11+
InChIKeyKVQHRAYJAHSSDS-WOJGMQOQSA-N
XLogP6.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-fluoro-4-hept-3-en-4-ylbenzene
CID 123305593
3,4-didodecylbenzoic acid
CID 71073316
4-hept-3-en-4-ylphenol
CID 154096280
4-[(Z)-but-2-en-2-yl]-1,2-dibutylbenzene
CID 174661250
[(Z)-non-3-en-4-yl]benzene
CID 101008148
(E)-1-(3,4-dihexadecylphenyl)-3-[2-[[(E)-3-(3,4-dihexadecylphenyl)-3-oxoprop-1-enyl]amino]ethylamino]prop-2-en-1-one
CID 100952917
1-N-(3,4-dipentylphenyl)-2-N-(3,4-dipropylphenyl)hexane-1,2-diimine
CID 87875183
1-hexyl-4-propylnaphthalene
CID 173269452
3-[4-[(E)-hept-3-en-4-yl]phenyl]prop-2-yn-1-ol
CID 134394928
4-[2-(3,4-dibutylphenyl)prop-1-enyl]benzoic acid
CID 54164279
ethyl 3,4-dibutylbenzoate
CID 166060053
1-ethyl-2-propylbenzene;[(E)-hept-3-en-4-yl]benzene;1-methoxy-4-methylnaphthalene
CID 91287648

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-hept-3-en-4-yl]-1-pentyl-2-propylbenzene?
The IUPAC name of 4-[(E)-hept-3-en-4-yl]-1-pentyl-2-propylbenzene (CID 143116138) is 4-[(E)-hept-3-en-4-yl]-1-pentyl-2-propylbenzene.
What is the SMILES notation for 4-[(E)-hept-3-en-4-yl]-1-pentyl-2-propylbenzene?
The canonical SMILES for 4-[(E)-hept-3-en-4-yl]-1-pentyl-2-propylbenzene is CC/C=C(\CCC)c1ccc(CCCCC)c(CCC)c1.
What is the InChIKey of 4-[(E)-hept-3-en-4-yl]-1-pentyl-2-propylbenzene?
The InChIKey is KVQHRAYJAHSSDS-WOJGMQOQSA-N. The full InChI is InChI=1S/C21H34/c1-5-9-10-14-19-15-16-21(17-20(19)13-8-4)18(11-6-2)12-7-3/h11,15-17H,5-10,12-14H2,1-4H3/b18-11+.
What are the key properties of 4-[(E)-hept-3-en-4-yl]-1-pentyl-2-propylbenzene?
4-[(E)-hept-3-en-4-yl]-1-pentyl-2-propylbenzene has a molecular weight of 286.50 g/mol, XLogP of 6.97, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-hept-3-en-4-yl]-1-pentyl-2-propylbenzene is sourced from PubChem (CID 143116138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).