but-2-enylbenzene;prop-1-ene

C13H18 — CID 159250462

IUPACbut-2-enylbenzene;prop-1-ene
SMILESC=CC.CC=CCc1ccccc1
InChIInChI=1S/C10H12.C3H6/c1-2-3-7-10-8-5-4-6-9-10;1-3-2/h2-6,8-9H,7H2,1H3;3H,1H2,2H3
InChIKeyKVFQDTQPACNPII-UHFFFAOYSA-N
MW174.29 g/mol
LogP4.00
Rot. Bonds2

About but-2-enylbenzene;prop-1-ene

but-2-enylbenzene;prop-1-ene (PubChem CID 159250462) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is but-2-enylbenzene;prop-1-ene.

Molecular Properties

Compound Namebut-2-enylbenzene;prop-1-ene
PubChem CID159250462
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Namebut-2-enylbenzene;prop-1-ene
SMILESC=CC.CC=CCc1ccccc1
InChIInChI=1S/C10H12.C3H6/c1-2-3-7-10-8-5-4-6-9-10;1-3-2/h2-6,8-9H,7H2,1H3;3H,1H2,2H3
InChIKeyKVFQDTQPACNPII-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 54.00
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

Biphenyl
CID 7095
Toluene
CID 1140
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
P-Xylene
CID 7809
Tetralin
CID 8404
P-Cymene
CID 7463
Indene
CID 7219
1,2,4-Trimethylbenzene
CID 7247

Frequently Asked Questions

What is the IUPAC name of but-2-enylbenzene;prop-1-ene?
The IUPAC name of but-2-enylbenzene;prop-1-ene (CID 159250462) is but-2-enylbenzene;prop-1-ene.
What is the SMILES notation for but-2-enylbenzene;prop-1-ene?
The canonical SMILES for but-2-enylbenzene;prop-1-ene is C=CC.CC=CCc1ccccc1.
What is the InChIKey of but-2-enylbenzene;prop-1-ene?
The InChIKey is KVFQDTQPACNPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C3H6/c1-2-3-7-10-8-5-4-6-9-10;1-3-2/h2-6,8-9H,7H2,1H3;3H,1H2,2H3.
What are the key properties of but-2-enylbenzene;prop-1-ene?
but-2-enylbenzene;prop-1-ene has a molecular weight of 174.29 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enylbenzene;prop-1-ene is sourced from PubChem (CID 159250462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).