1-prop-2-enyl-2-propylbenzene

C12H16 — CID 12585186

IUPAC1-prop-2-enyl-2-propylbenzene
SMILESC=CCc1ccccc1CCC
InChIInChI=1S/C12H16/c1-3-7-11-9-5-6-10-12(11)8-4-2/h3,5-6,9-10H,1,4,7-8H2,2H3
InChIKeyJMOLLLWSWOZSCZ-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.37
Rot. Bonds4

About 1-prop-2-enyl-2-propylbenzene

1-prop-2-enyl-2-propylbenzene (PubChem CID 12585186) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-prop-2-enyl-2-propylbenzene.

Molecular Properties

Compound Name1-prop-2-enyl-2-propylbenzene
PubChem CID12585186
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name1-prop-2-enyl-2-propylbenzene
SMILESC=CCc1ccccc1CCC
InChIInChI=1S/C12H16/c1-3-7-11-9-5-6-10-12(11)8-4-2/h3,5-6,9-10H,1,4,7-8H2,2H3
InChIKeyJMOLLLWSWOZSCZ-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-2-propylbenzene?
The IUPAC name of 1-prop-2-enyl-2-propylbenzene (CID 12585186) is 1-prop-2-enyl-2-propylbenzene.
What is the SMILES notation for 1-prop-2-enyl-2-propylbenzene?
The canonical SMILES for 1-prop-2-enyl-2-propylbenzene is C=CCc1ccccc1CCC.
What is the InChIKey of 1-prop-2-enyl-2-propylbenzene?
The InChIKey is JMOLLLWSWOZSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-3-7-11-9-5-6-10-12(11)8-4-2/h3,5-6,9-10H,1,4,7-8H2,2H3.
What are the key properties of 1-prop-2-enyl-2-propylbenzene?
1-prop-2-enyl-2-propylbenzene has a molecular weight of 160.26 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-2-propylbenzene is sourced from PubChem (CID 12585186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).