2-ethenyl-4-ethyl-1-pentan-3-ylbenzene

C15H22 — CID 123878875

IUPAC2-ethenyl-4-ethyl-1-pentan-3-ylbenzene
SMILESC=Cc1cc(CC)ccc1C(CC)CC
InChIInChI=1S/C15H22/c1-5-12-9-10-15(13(6-2)7-3)14(8-4)11-12/h8-11,13H,4-7H2,1-3H3
InChIKeyCATQEMMJFOROBT-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.80
Rot. Bonds5

About 2-ethenyl-4-ethyl-1-pentan-3-ylbenzene

2-ethenyl-4-ethyl-1-pentan-3-ylbenzene (PubChem CID 123878875) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-ethenyl-4-ethyl-1-pentan-3-ylbenzene.

Molecular Properties

Compound Name2-ethenyl-4-ethyl-1-pentan-3-ylbenzene
PubChem CID123878875
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name2-ethenyl-4-ethyl-1-pentan-3-ylbenzene
SMILESC=Cc1cc(CC)ccc1C(CC)CC
InChIInChI=1S/C15H22/c1-5-12-9-10-15(13(6-2)7-3)14(8-4)11-12/h8-11,13H,4-7H2,1-3H3
InChIKeyCATQEMMJFOROBT-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethenyl-2-pentan-3-ylbenzene
CID 20542388
2-ethenyl-5-ethylaniline
CID 142605746
ethane;1-ethenyl-4-ethyl-2-[(Z)-3-methylbut-1-enyl]benzene
CID 142526011
1,2-bis(ethenyl)-4-propylbenzene
CID 142025634
(Z)-2-(5-ethyl-2-propan-2-ylphenyl)ethenamine
CID 134408617
1,2-bis(ethenyl)-4-(4-ethylphenyl)benzene
CID 156753876
1,2-bis(ethenyl)benzene;1,3-bis(ethenyl)benzene;1,4-bis(ethenyl)benzene;1-ethenyl-4-ethylbenzene
CID 137319863
2-ethenyl-1-ethyl-4-prop-2-enylbenzene
CID 123275619
2-butan-2-yl-4-ethyl-1-propan-2-ylbenzene
CID 123761837
1,4-dibutyl-2-ethenylbenzene
CID 140596757
1-ethenyl-3-ethylbenzene;1-ethenyl-2-methoxybenzene
CID 122483401
4-(2-butoxyethyl)-1,2-bis(ethenyl)benzene
CID 142240951

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-ethyl-1-pentan-3-ylbenzene?
The IUPAC name of 2-ethenyl-4-ethyl-1-pentan-3-ylbenzene (CID 123878875) is 2-ethenyl-4-ethyl-1-pentan-3-ylbenzene.
What is the SMILES notation for 2-ethenyl-4-ethyl-1-pentan-3-ylbenzene?
The canonical SMILES for 2-ethenyl-4-ethyl-1-pentan-3-ylbenzene is C=Cc1cc(CC)ccc1C(CC)CC.
What is the InChIKey of 2-ethenyl-4-ethyl-1-pentan-3-ylbenzene?
The InChIKey is CATQEMMJFOROBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-5-12-9-10-15(13(6-2)7-3)14(8-4)11-12/h8-11,13H,4-7H2,1-3H3.
What are the key properties of 2-ethenyl-4-ethyl-1-pentan-3-ylbenzene?
2-ethenyl-4-ethyl-1-pentan-3-ylbenzene has a molecular weight of 202.34 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-ethyl-1-pentan-3-ylbenzene is sourced from PubChem (CID 123878875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).