3-(3,5-dimethylcyclohexyl)oxy-2,2-dimethylcyclobutan-1-one

C14H24O2 — CID 66366245

IUPAC3-(3,5-dimethylcyclohexyl)oxy-2,2-dimethylcyclobutan-1-one
SMILESCC1CC(C)CC(OC2CC(=O)C2(C)C)C1
InChIInChI=1S/C14H24O2/c1-9-5-10(2)7-11(6-9)16-13-8-12(15)14(13,3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyHKCSLSRGKCVDGD-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.20
Rot. Bonds2

About 3-(3,5-dimethylcyclohexyl)oxy-2,2-dimethylcyclobutan-1-one

3-(3,5-dimethylcyclohexyl)oxy-2,2-dimethylcyclobutan-1-one (PubChem CID 66366245) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 3-(3,5-dimethylcyclohexyl)oxy-2,2-dimethylcyclobutan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethylcyclohexyl)oxy-2,2-dimethylcyclobutan-1-one
PubChem CID66366245
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name3-(3,5-dimethylcyclohexyl)oxy-2,2-dimethylcyclobutan-1-one
SMILESCC1CC(C)CC(OC2CC(=O)C2(C)C)C1
InChIInChI=1S/C14H24O2/c1-9-5-10(2)7-11(6-9)16-13-8-12(15)14(13,3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyHKCSLSRGKCVDGD-UHFFFAOYSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-one
CID 66366610
3-butan-2-yloxy-2,2-dimethylcyclobutan-1-one
CID 66368280
1-(4-methylcyclohexyl)oxyspiro[3.6]decan-3-one
CID 66368656
3-(3,3-dimethylbutoxy)-2,2-dimethylcyclobutan-1-one
CID 66366862
3-cyclopentyloxy-2-ethyl-2-methylcyclobutan-1-one
CID 66369255
3-(3,5-dimethylcyclohexyl)oxy-N,2-diethyl-2-methylcyclobutan-1-amine
CID 66350516
3-(3-methylcyclohexyl)oxycyclohexan-1-one
CID 79618591
3-(4-bromo-3,5-dimethylphenoxy)-2,2-dimethylcyclobutan-1-one
CID 107727194
(3R)-2,2-dimethyl-3-phenylmethoxycyclobutan-1-one
CID 97041960
3-(3,5-dimethylcyclohexyl)oxy-N-methylspiro[3.5]nonan-1-amine
CID 66351605
3-[(5-chloro-3-pyridinyl)oxy]-2,2-dimethylcyclobutan-1-one
CID 66368706
3-(3,5-dimethylcyclohexyl)oxy-N-methylcyclobutan-1-amine
CID 66351383

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylcyclohexyl)oxy-2,2-dimethylcyclobutan-1-one?
The IUPAC name of 3-(3,5-dimethylcyclohexyl)oxy-2,2-dimethylcyclobutan-1-one (CID 66366245) is 3-(3,5-dimethylcyclohexyl)oxy-2,2-dimethylcyclobutan-1-one.
What is the SMILES notation for 3-(3,5-dimethylcyclohexyl)oxy-2,2-dimethylcyclobutan-1-one?
The canonical SMILES for 3-(3,5-dimethylcyclohexyl)oxy-2,2-dimethylcyclobutan-1-one is CC1CC(C)CC(OC2CC(=O)C2(C)C)C1.
What is the InChIKey of 3-(3,5-dimethylcyclohexyl)oxy-2,2-dimethylcyclobutan-1-one?
The InChIKey is HKCSLSRGKCVDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-9-5-10(2)7-11(6-9)16-13-8-12(15)14(13,3)4/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 3-(3,5-dimethylcyclohexyl)oxy-2,2-dimethylcyclobutan-1-one?
3-(3,5-dimethylcyclohexyl)oxy-2,2-dimethylcyclobutan-1-one has a molecular weight of 224.34 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylcyclohexyl)oxy-2,2-dimethylcyclobutan-1-one is sourced from PubChem (CID 66366245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).