1-but-2-enyl-2-propylbenzene

C13H18 — CID 139617865

IUPAC1-but-2-enyl-2-propylbenzene
SMILESCC=CCc1ccccc1CCC
InChIInChI=1S/C13H18/c1-3-5-9-13-11-7-6-10-12(13)8-4-2/h3,5-7,10-11H,4,8-9H2,1-2H3
InChIKeyMZBAOEWQWPNXDW-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.76
Rot. Bonds4

About 1-but-2-enyl-2-propylbenzene

1-but-2-enyl-2-propylbenzene (PubChem CID 139617865) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-but-2-enyl-2-propylbenzene.

Molecular Properties

Compound Name1-but-2-enyl-2-propylbenzene
PubChem CID139617865
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name1-but-2-enyl-2-propylbenzene
SMILESCC=CCc1ccccc1CCC
InChIInChI=1S/C13H18/c1-3-5-9-13-11-7-6-10-12(13)8-4-2/h3,5-7,10-11H,4,8-9H2,1-2H3
InChIKeyMZBAOEWQWPNXDW-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.76
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-prop-2-enyl-2-propylbenzene
CID 12585186
2-[(E)-but-2-enyl]benzenethiol
CID 21159908
1-hept-3-enyl-2-propylbenzene
CID 91473483
1-[(E)-hex-4-en-2-yl]-2-propylbenzene
CID 145391504
3-(2-pentylphenyl)prop-1-en-1-amine
CID 174793105
1-[(E)-but-2-enyl]-4-propylbenzene
CID 12579285
1-(2-bromoethyl)-2-propylbenzene
CID 70218831
ethane;1-prop-1-enyl-10-propylcyclodeca-1,3,5,7,9-pentaene
CID 143566637
ethane;(2-propylphenyl)methanethiol
CID 142320785
1-but-2-enyl-2,3,4-tributylbenzene
CID 139617866
2-[(E)-but-2-enyl]benzoic acid
CID 11217549
N-(2-propylphenyl)ethanimine
CID 67389044

Frequently Asked Questions

What is the IUPAC name of 1-but-2-enyl-2-propylbenzene?
The IUPAC name of 1-but-2-enyl-2-propylbenzene (CID 139617865) is 1-but-2-enyl-2-propylbenzene.
What is the SMILES notation for 1-but-2-enyl-2-propylbenzene?
The canonical SMILES for 1-but-2-enyl-2-propylbenzene is CC=CCc1ccccc1CCC.
What is the InChIKey of 1-but-2-enyl-2-propylbenzene?
The InChIKey is MZBAOEWQWPNXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-3-5-9-13-11-7-6-10-12(13)8-4-2/h3,5-7,10-11H,4,8-9H2,1-2H3.
What are the key properties of 1-but-2-enyl-2-propylbenzene?
1-but-2-enyl-2-propylbenzene has a molecular weight of 174.29 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-enyl-2-propylbenzene is sourced from PubChem (CID 139617865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).