2-cyclobutyl-1-(1-ethoxycycloheptyl)ethanone

C15H26O2 — CID 116750829

IUPAC2-cyclobutyl-1-(1-ethoxycycloheptyl)ethanone
SMILESCCOC1(C(=O)CC2CCC2)CCCCCC1
InChIInChI=1S/C15H26O2/c1-2-17-15(10-5-3-4-6-11-15)14(16)12-13-8-7-9-13/h13H,2-12H2,1H3
InChIKeyISCHWGHIUZHNFZ-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.88
Rot. Bonds5

About 2-cyclobutyl-1-(1-ethoxycycloheptyl)ethanone

2-cyclobutyl-1-(1-ethoxycycloheptyl)ethanone (PubChem CID 116750829) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-cyclobutyl-1-(1-ethoxycycloheptyl)ethanone.

Molecular Properties

Compound Name2-cyclobutyl-1-(1-ethoxycycloheptyl)ethanone
PubChem CID116750829
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-cyclobutyl-1-(1-ethoxycycloheptyl)ethanone
SMILESCCOC1(C(=O)CC2CCC2)CCCCCC1
InChIInChI=1S/C15H26O2/c1-2-17-15(10-5-3-4-6-11-15)14(16)12-13-8-7-9-13/h13H,2-12H2,1H3
InChIKeyISCHWGHIUZHNFZ-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-1-(1-methoxycyclopentyl)ethanone
CID 104610038
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749855
2-cyclobutyl-1-(1-methylcyclohexyl)ethanone
CID 106829597
1-(1-ethoxycyclohexyl)but-3-yn-1-one
CID 116748359
2-cyclohexyl-1-(1-ethylcyclopentyl)ethanone
CID 114967656
2-cyclobutyl-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749721
1-(1-ethoxycycloheptyl)-3-(oxolan-2-yl)propan-1-one
CID 116750803
1-(1-ethoxycyclohexyl)-4-ethylsulfonylbutan-1-one
CID 116748256
1-[1-(aminomethyl)cycloheptyl]-2-cyclobutylethanone
CID 116602062
1-(1-ethoxycycloheptyl)prop-2-yn-1-one
CID 116750710
cyclobutyl-(1-ethoxy-4-methylcyclohexyl)methanone
CID 116749325
1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-one
CID 83226738

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(1-ethoxycycloheptyl)ethanone?
The IUPAC name of 2-cyclobutyl-1-(1-ethoxycycloheptyl)ethanone (CID 116750829) is 2-cyclobutyl-1-(1-ethoxycycloheptyl)ethanone.
What is the SMILES notation for 2-cyclobutyl-1-(1-ethoxycycloheptyl)ethanone?
The canonical SMILES for 2-cyclobutyl-1-(1-ethoxycycloheptyl)ethanone is CCOC1(C(=O)CC2CCC2)CCCCCC1.
What is the InChIKey of 2-cyclobutyl-1-(1-ethoxycycloheptyl)ethanone?
The InChIKey is ISCHWGHIUZHNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-2-17-15(10-5-3-4-6-11-15)14(16)12-13-8-7-9-13/h13H,2-12H2,1H3.
What are the key properties of 2-cyclobutyl-1-(1-ethoxycycloheptyl)ethanone?
2-cyclobutyl-1-(1-ethoxycycloheptyl)ethanone has a molecular weight of 238.37 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(1-ethoxycycloheptyl)ethanone is sourced from PubChem (CID 116750829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).