4-[(1-methylcyclobutyl)methoxy]cyclohexan-1-one

C12H20O2 — CID 130601097

IUPAC4-[(1-methylcyclobutyl)methoxy]cyclohexan-1-one
SMILESCC1(COC2CCC(=O)CC2)CCC1
InChIInChI=1S/C12H20O2/c1-12(7-2-8-12)9-14-11-5-3-10(13)4-6-11/h11H,2-9H2,1H3
InChIKeyUFHKBWXBRRPWMY-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.70
Rot. Bonds3

About 4-[(1-methylcyclobutyl)methoxy]cyclohexan-1-one

4-[(1-methylcyclobutyl)methoxy]cyclohexan-1-one (PubChem CID 130601097) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-[(1-methylcyclobutyl)methoxy]cyclohexan-1-one.

Molecular Properties

Compound Name4-[(1-methylcyclobutyl)methoxy]cyclohexan-1-one
PubChem CID130601097
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name4-[(1-methylcyclobutyl)methoxy]cyclohexan-1-one
SMILESCC1(COC2CCC(=O)CC2)CCC1
InChIInChI=1S/C12H20O2/c1-12(7-2-8-12)9-14-11-5-3-10(13)4-6-11/h11H,2-9H2,1H3
InChIKeyUFHKBWXBRRPWMY-UHFFFAOYSA-N
XLogP2.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5,5-dimethyloxolan-2-yl)methoxy]cyclohexan-1-one
CID 116521902
4-(2-methylprop-2-enoxy)cyclohexan-1-one
CID 18980421
4-(3-methylbut-3-enoxy)cyclohexan-1-one
CID 114472654
4-(cyclopropylmethoxymethoxy)cyclohexan-1-one
CID 106929555
4-methoxycycloheptan-1-one
CID 551377
4-(3-methoxy-3-methylbutoxy)cyclohexan-1-one
CID 103033788
4-(3-oxoprop-2-enoxy)cyclohexan-1-one
CID 141286160
4-(cyclopropylmethoxy)cyclohexan-1-one;8-(cyclopropylmethoxy)-1,4-dioxaspiro[4.5]decane
CID 158473568
3-ethoxycyclopentan-1-one
CID 15050470
4-(4-methyl-4-propoxycyclohexyl)cyclohexan-1-one
CID 130176618
4-(2-cyclobutylethoxy)-4-methylcyclohexan-1-one
CID 143317442
1-(hydroperoxymethyl)-1-methylcyclobutane
CID 59956938

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylcyclobutyl)methoxy]cyclohexan-1-one?
The IUPAC name of 4-[(1-methylcyclobutyl)methoxy]cyclohexan-1-one (CID 130601097) is 4-[(1-methylcyclobutyl)methoxy]cyclohexan-1-one.
What is the SMILES notation for 4-[(1-methylcyclobutyl)methoxy]cyclohexan-1-one?
The canonical SMILES for 4-[(1-methylcyclobutyl)methoxy]cyclohexan-1-one is CC1(COC2CCC(=O)CC2)CCC1.
What is the InChIKey of 4-[(1-methylcyclobutyl)methoxy]cyclohexan-1-one?
The InChIKey is UFHKBWXBRRPWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-12(7-2-8-12)9-14-11-5-3-10(13)4-6-11/h11H,2-9H2,1H3.
What are the key properties of 4-[(1-methylcyclobutyl)methoxy]cyclohexan-1-one?
4-[(1-methylcyclobutyl)methoxy]cyclohexan-1-one has a molecular weight of 196.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylcyclobutyl)methoxy]cyclohexan-1-one is sourced from PubChem (CID 130601097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).