2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-one

C12H20O3 — CID 104673383

IUPAC2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-one
SMILESCOC1C(=O)CC1OC1CCCCC1C
InChIInChI=1S/C12H20O3/c1-8-5-3-4-6-10(8)15-11-7-9(13)12(11)14-2/h8,10-12H,3-7H2,1-2H3
InChIKeyYWWVZSVIIYBWBO-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.94
Rot. Bonds3

About 2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-one

2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-one (PubChem CID 104673383) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-one.

Molecular Properties

Compound Name2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-one
PubChem CID104673383
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-one
SMILESCOC1C(=O)CC1OC1CCCCC1C
InChIInChI=1S/C12H20O3/c1-8-5-3-4-6-10(8)15-11-7-9(13)12(11)14-2/h8,10-12H,3-7H2,1-2H3
InChIKeyYWWVZSVIIYBWBO-UHFFFAOYSA-N
XLogP1.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyloxy-2-methoxycyclobutan-1-one
CID 104673374
trans-(1R,2R)-1-methoxy-2-methylcyclohexane
CID 12546407
(2S,3R,4R)-2-methoxy-3,4-dimethylcyclopentan-1-one
CID 130993525
(1S,3aR,7aR)-1-methoxy-1,3,3a,4,5,6,7,7a-octahydroinden-2-one
CID 15724631
2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-ol
CID 104673606
iodomethane;1-methoxy-2-methylcyclohexane
CID 168960472
ethane;1-methoxy-2-methylcyclopentane
CID 142110191
cis-(2S,3R)-3-methoxy-2-methylcycloheptan-1-one
CID 131020764
3-(3,4-dimethylcyclohexyl)oxy-2-propoxycyclobutan-1-one
CID 114018828
2-[(1R,2S)-2-methoxycyclohexyl]cyclohexan-1-one
CID 101057630
2-methoxy-3-(oxan-4-ylmethoxy)cyclobutan-1-one
CID 104673474
1-methoxy-2,6,9-trimethylcyclododecane
CID 70879863

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-one?
The IUPAC name of 2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-one (CID 104673383) is 2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-one.
What is the SMILES notation for 2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-one?
The canonical SMILES for 2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-one is COC1C(=O)CC1OC1CCCCC1C.
What is the InChIKey of 2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-one?
The InChIKey is YWWVZSVIIYBWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-8-5-3-4-6-10(8)15-11-7-9(13)12(11)14-2/h8,10-12H,3-7H2,1-2H3.
What are the key properties of 2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-one?
2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-one has a molecular weight of 212.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-one is sourced from PubChem (CID 104673383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).