2-cyclobutylethylbenzene;ethyl formate

C15H22O2 — CID 174903391

IUPAC2-cyclobutylethylbenzene;ethyl formate
SMILESCCOC=O.c1ccc(CCC2CCC2)cc1
InChIInChI=1S/C12H16.C3H6O2/c1-2-5-11(6-3-1)9-10-12-7-4-8-12;1-2-5-3-4/h1-3,5-6,12H,4,7-10H2;3H,2H2,1H3
InChIKeyCPPCSBBQCLJKJF-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.60
Rot. Bonds5

About 2-cyclobutylethylbenzene;ethyl formate

2-cyclobutylethylbenzene;ethyl formate (PubChem CID 174903391) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-cyclobutylethylbenzene;ethyl formate.

Molecular Properties

Compound Name2-cyclobutylethylbenzene;ethyl formate
PubChem CID174903391
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-cyclobutylethylbenzene;ethyl formate
SMILESCCOC=O.c1ccc(CCC2CCC2)cc1
InChIInChI=1S/C12H16.C3H6O2/c1-2-5-11(6-3-1)9-10-12-7-4-8-12;1-2-5-3-4/h1-3,5-6,12H,4,7-10H2;3H,2H2,1H3
InChIKeyCPPCSBBQCLJKJF-UHFFFAOYSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-phenylethanamine;ethyl formate
CID 158758698
2-phenylethylcyclooctane
CID 54073487
ethylbenzene;ethyl formate
CID 123765960
bromomethylbenzene;ethyl formate
CID 160682480
2-(4-butylcyclohexyl)ethylbenzene
CID 19899703
1-[2-[4-(2-cyclohexylethyl)cyclohexyl]ethyl]-4-(2-phenylethyl)benzene
CID 20724010
2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene
CID 22157204
benzoic acid;ethyl formate
CID 158867459
4-(2-phenylethyl)cyclohexan-1-one
CID 18980498
ethyl formate;2-(2-phenylethenyl)cyclopentan-1-ol
CID 174505838
ethyl formate;phenoxybenzene
CID 174262860
1-cyclobutylpropan-2-one;ethyl formate
CID 174968051

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylethylbenzene;ethyl formate?
The IUPAC name of 2-cyclobutylethylbenzene;ethyl formate (CID 174903391) is 2-cyclobutylethylbenzene;ethyl formate.
What is the SMILES notation for 2-cyclobutylethylbenzene;ethyl formate?
The canonical SMILES for 2-cyclobutylethylbenzene;ethyl formate is CCOC=O.c1ccc(CCC2CCC2)cc1.
What is the InChIKey of 2-cyclobutylethylbenzene;ethyl formate?
The InChIKey is CPPCSBBQCLJKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C3H6O2/c1-2-5-11(6-3-1)9-10-12-7-4-8-12;1-2-5-3-4/h1-3,5-6,12H,4,7-10H2;3H,2H2,1H3.
What are the key properties of 2-cyclobutylethylbenzene;ethyl formate?
2-cyclobutylethylbenzene;ethyl formate has a molecular weight of 234.34 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylethylbenzene;ethyl formate is sourced from PubChem (CID 174903391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).