4-(2-cyclobutylethoxy)-4-methylcyclohexan-1-one

C13H22O2 — CID 143317442

IUPAC4-(2-cyclobutylethoxy)-4-methylcyclohexan-1-one
SMILESCC1(OCCC2CCC2)CCC(=O)CC1
InChIInChI=1S/C13H22O2/c1-13(8-5-12(14)6-9-13)15-10-7-11-3-2-4-11/h11H,2-10H2,1H3
InChIKeyXTNQECBRJKQJAQ-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.10
Rot. Bonds4

About 4-(2-cyclobutylethoxy)-4-methylcyclohexan-1-one

4-(2-cyclobutylethoxy)-4-methylcyclohexan-1-one (PubChem CID 143317442) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-(2-cyclobutylethoxy)-4-methylcyclohexan-1-one.

Molecular Properties

Compound Name4-(2-cyclobutylethoxy)-4-methylcyclohexan-1-one
PubChem CID143317442
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name4-(2-cyclobutylethoxy)-4-methylcyclohexan-1-one
SMILESCC1(OCCC2CCC2)CCC(=O)CC1
InChIInChI=1S/C13H22O2/c1-13(8-5-12(14)6-9-13)15-10-7-11-3-2-4-11/h11H,2-10H2,1H3
InChIKeyXTNQECBRJKQJAQ-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methyl-4-propoxycyclohexyl)cyclohexan-1-one
CID 130176618
1-(4-cyclopentylbutanoyl)-6,6-dimethylpiperidin-3-one
CID 115276326
3-(2-cyclobutylethoxy)propanal
CID 106203331
2-cyclobutylethyl 2-(3-methylazetidin-3-yl)oxyacetate
CID 106203049
4,4,7,7-tetramethylcyclononan-1-one
CID 21241719
4-[2-cyclobutylethyl(methyl)amino]cyclohexan-1-one
CID 117039789
4-[(1-methylcyclobutyl)methoxy]cyclohexan-1-one
CID 130601097
5-(cyclobutylmethyl)-5-methyloxolan-2-one
CID 103439680
4-(2-cyclopropylethyl)-4-hydroxycyclohexan-1-one
CID 106590488
1-(2-cyclobutylethoxy)-1-(iodomethyl)-4-propan-2-ylcyclohexane
CID 106204827
cyclohexane;2-cyclohexylethyl acetate;cyclopentadecanone;tetradecane
CID 174845633
tert-butyl 3-(2-cyclopropylethoxy)-3-methylpiperidine-1-carboxylate
CID 83206251

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclobutylethoxy)-4-methylcyclohexan-1-one?
The IUPAC name of 4-(2-cyclobutylethoxy)-4-methylcyclohexan-1-one (CID 143317442) is 4-(2-cyclobutylethoxy)-4-methylcyclohexan-1-one.
What is the SMILES notation for 4-(2-cyclobutylethoxy)-4-methylcyclohexan-1-one?
The canonical SMILES for 4-(2-cyclobutylethoxy)-4-methylcyclohexan-1-one is CC1(OCCC2CCC2)CCC(=O)CC1.
What is the InChIKey of 4-(2-cyclobutylethoxy)-4-methylcyclohexan-1-one?
The InChIKey is XTNQECBRJKQJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-13(8-5-12(14)6-9-13)15-10-7-11-3-2-4-11/h11H,2-10H2,1H3.
What are the key properties of 4-(2-cyclobutylethoxy)-4-methylcyclohexan-1-one?
4-(2-cyclobutylethoxy)-4-methylcyclohexan-1-one has a molecular weight of 210.32 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclobutylethoxy)-4-methylcyclohexan-1-one is sourced from PubChem (CID 143317442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).