1-ethyl-2-pent-1-en-2-ylbenzene

C13H18 — CID 173350978

IUPAC1-ethyl-2-pent-1-en-2-ylbenzene
SMILESC=C(CCC)c1ccccc1CC
InChIInChI=1S/C13H18/c1-4-8-11(3)13-10-7-6-9-12(13)5-2/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyMLANXMDCLIDFMQ-UHFFFAOYSA-N
MW174.29 g/mol
LogP4.06
Rot. Bonds4

About 1-ethyl-2-pent-1-en-2-ylbenzene

1-ethyl-2-pent-1-en-2-ylbenzene (PubChem CID 173350978) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-ethyl-2-pent-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-ethyl-2-pent-1-en-2-ylbenzene
PubChem CID173350978
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name1-ethyl-2-pent-1-en-2-ylbenzene
SMILESC=C(CCC)c1ccccc1CC
InChIInChI=1S/C13H18/c1-4-8-11(3)13-10-7-6-9-12(13)5-2/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyMLANXMDCLIDFMQ-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-ethyl-2-pent-1-en-2-ylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-ethyl-1-pent-1-en-2-ylbenzene
CID 166154173
1-pent-1-en-2-yl-2-(trifluoromethyl)benzene
CID 155364675
1-ethyl-2-(3-phenylbuta-1,3-dien-2-yl)benzene
CID 22151876
pent-1-en-2-ylbenzene
CID 521761
1-(2-ethylphenyl)pentan-1-one;pentane
CID 142147591
(3Z)-N-[1-(2-ethylphenyl)ethenyl]hexa-1,3-dien-2-amine
CID 134182642
2-ethylbenzoic acid;tungsten
CID 23518478
barium(2+);bis(2-ethylbenzoate)
CID 101299927
bis(2-ethylbenzoate);lead(2+)
CID 101297382
(2-ethylbenzoyl) 2-ethylbenzoate
CID 15761038
2-ethylbenzenecarbothioyl chloride
CID 23333077
1-hex-1-en-2-yl-2-methylbenzene
CID 10535245

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-pent-1-en-2-ylbenzene?
The IUPAC name of 1-ethyl-2-pent-1-en-2-ylbenzene (CID 173350978) is 1-ethyl-2-pent-1-en-2-ylbenzene.
What is the SMILES notation for 1-ethyl-2-pent-1-en-2-ylbenzene?
The canonical SMILES for 1-ethyl-2-pent-1-en-2-ylbenzene is C=C(CCC)c1ccccc1CC.
What is the InChIKey of 1-ethyl-2-pent-1-en-2-ylbenzene?
The InChIKey is MLANXMDCLIDFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-4-8-11(3)13-10-7-6-9-12(13)5-2/h6-7,9-10H,3-5,8H2,1-2H3.
What are the key properties of 1-ethyl-2-pent-1-en-2-ylbenzene?
1-ethyl-2-pent-1-en-2-ylbenzene has a molecular weight of 174.29 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-pent-1-en-2-ylbenzene is sourced from PubChem (CID 173350978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).