4-propylhept-1-en-4-ylbenzene

C16H24 — CID 123221616

IUPAC4-propylhept-1-en-4-ylbenzene
SMILESC=CCC(CCC)(CCC)c1ccccc1
InChIInChI=1S/C16H24/c1-4-12-16(13-5-2,14-6-3)15-10-8-7-9-11-15/h4,7-11H,1,5-6,12-14H2,2-3H3
InChIKeyIQIUNJIDKPMBRY-UHFFFAOYSA-N
MW216.37 g/mol
LogP5.10
Rot. Bonds7

About 4-propylhept-1-en-4-ylbenzene

4-propylhept-1-en-4-ylbenzene (PubChem CID 123221616) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 4-propylhept-1-en-4-ylbenzene.

Molecular Properties

Compound Name4-propylhept-1-en-4-ylbenzene
PubChem CID123221616
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name4-propylhept-1-en-4-ylbenzene
SMILESC=CCC(CCC)(CCC)c1ccccc1
InChIInChI=1S/C16H24/c1-4-12-16(13-5-2,14-6-3)15-10-8-7-9-11-15/h4,7-11H,1,5-6,12-14H2,2-3H3
InChIKeyIQIUNJIDKPMBRY-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.10
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

3-phenyl-3-prop-2-enylpentane-1,5-diol
CID 173032148
1,4-bis(4-prop-2-enylhepta-1,6-dien-4-yl)benzene
CID 12066232
[2-phenyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate
CID 139685478
2-phenyl-2-prop-2-enylpent-4-enenitrile
CID 10442696
2,2-diphenylpent-4-enenitrile
CID 10681154
2-phenyl-2-propylpentanenitrile
CID 12754193
[1-phenylmethoxy-2-(phenylmethoxymethyl)pent-4-en-2-yl]benzene
CID 176894783
1-phenylbut-3-ene-1,1-diol
CID 134892936
N-ethyl-N-methyl-2-phenylpent-4-en-2-amine
CID 174778712
4-(1,1-diphenylbut-3-enyl)-1,2-dimethylbenzene
CID 71583153
dilithium;1-phenylbut-3-ene-1,1-diolate
CID 134892935
(2S)-2-methyl-2-phenylpent-4-enal
CID 10866831

Frequently Asked Questions

What is the IUPAC name of 4-propylhept-1-en-4-ylbenzene?
The IUPAC name of 4-propylhept-1-en-4-ylbenzene (CID 123221616) is 4-propylhept-1-en-4-ylbenzene.
What is the SMILES notation for 4-propylhept-1-en-4-ylbenzene?
The canonical SMILES for 4-propylhept-1-en-4-ylbenzene is C=CCC(CCC)(CCC)c1ccccc1.
What is the InChIKey of 4-propylhept-1-en-4-ylbenzene?
The InChIKey is IQIUNJIDKPMBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-4-12-16(13-5-2,14-6-3)15-10-8-7-9-11-15/h4,7-11H,1,5-6,12-14H2,2-3H3.
What are the key properties of 4-propylhept-1-en-4-ylbenzene?
4-propylhept-1-en-4-ylbenzene has a molecular weight of 216.37 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylhept-1-en-4-ylbenzene is sourced from PubChem (CID 123221616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).