1-hept-3-enyl-2-propylbenzene

C16H24 — CID 91473483

IUPAC1-hept-3-enyl-2-propylbenzene
SMILESCCCC=CCCc1ccccc1CCC
InChIInChI=1S/C16H24/c1-3-5-6-7-8-12-16-14-10-9-13-15(16)11-4-2/h6-7,9-10,13-14H,3-5,8,11-12H2,1-2H3
InChIKeyCEBGPQLGYQVENZ-UHFFFAOYSA-N
MW216.37 g/mol
LogP4.93
Rot. Bonds7

About 1-hept-3-enyl-2-propylbenzene

1-hept-3-enyl-2-propylbenzene (PubChem CID 91473483) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-hept-3-enyl-2-propylbenzene.

Molecular Properties

Compound Name1-hept-3-enyl-2-propylbenzene
PubChem CID91473483
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name1-hept-3-enyl-2-propylbenzene
SMILESCCCC=CCCc1ccccc1CCC
InChIInChI=1S/C16H24/c1-3-5-6-7-8-12-16-14-10-9-13-15(16)11-4-2/h6-7,9-10,13-14H,3-5,8,11-12H2,1-2H3
InChIKeyCEBGPQLGYQVENZ-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.93
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-but-2-enyl-2-propylbenzene
CID 139617865
1-prop-2-enyl-2-propylbenzene
CID 12585186
1-hex-3-enyl-2-methylbenzene
CID 54009738
2-[(E)-hex-3-enyl]phenol
CID 21272840
1-(2-bromoethyl)-2-propylbenzene
CID 70218831
1-hex-5-enyl-2-propylbenzene
CID 18786540
ethane;(2-propylphenyl)methanethiol
CID 142320785
1-[(E)-heptadec-3-enyl]naphthalene
CID 101307582
1-[(E)-docos-3-enyl]naphthalene
CID 101307762
2-(2-propylphenyl)acetic acid
CID 46897017
2-tert-butylperoxy-2-methylpropane;1,2-dipropylbenzene
CID 162101368
N,N-dimethyl-1-(2-propylphenyl)methanamine
CID 12709346

Frequently Asked Questions

What is the IUPAC name of 1-hept-3-enyl-2-propylbenzene?
The IUPAC name of 1-hept-3-enyl-2-propylbenzene (CID 91473483) is 1-hept-3-enyl-2-propylbenzene.
What is the SMILES notation for 1-hept-3-enyl-2-propylbenzene?
The canonical SMILES for 1-hept-3-enyl-2-propylbenzene is CCCC=CCCc1ccccc1CCC.
What is the InChIKey of 1-hept-3-enyl-2-propylbenzene?
The InChIKey is CEBGPQLGYQVENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-3-5-6-7-8-12-16-14-10-9-13-15(16)11-4-2/h6-7,9-10,13-14H,3-5,8,11-12H2,1-2H3.
What are the key properties of 1-hept-3-enyl-2-propylbenzene?
1-hept-3-enyl-2-propylbenzene has a molecular weight of 216.37 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-3-enyl-2-propylbenzene is sourced from PubChem (CID 91473483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).