1-(2-methylcyclohexyl)oxybutan-2-one

C11H20O2 — CID 62040617

IUPAC1-(2-methylcyclohexyl)oxybutan-2-one
SMILESCCC(=O)COC1CCCCC1C
InChIInChI=1S/C11H20O2/c1-3-10(12)8-13-11-7-5-4-6-9(11)2/h9,11H,3-8H2,1-2H3
InChIKeyYPZUGCBIKURVDE-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.56
Rot. Bonds4

About 1-(2-methylcyclohexyl)oxybutan-2-one

1-(2-methylcyclohexyl)oxybutan-2-one (PubChem CID 62040617) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)oxybutan-2-one.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)oxybutan-2-one
PubChem CID62040617
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-(2-methylcyclohexyl)oxybutan-2-one
SMILESCCC(=O)COC1CCCCC1C
InChIInChI=1S/C11H20O2/c1-3-10(12)8-13-11-7-5-4-6-9(11)2/h9,11H,3-8H2,1-2H3
InChIKeyYPZUGCBIKURVDE-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)oxybutan-2-one?
The IUPAC name of 1-(2-methylcyclohexyl)oxybutan-2-one (CID 62040617) is 1-(2-methylcyclohexyl)oxybutan-2-one.
What is the SMILES notation for 1-(2-methylcyclohexyl)oxybutan-2-one?
The canonical SMILES for 1-(2-methylcyclohexyl)oxybutan-2-one is CCC(=O)COC1CCCCC1C.
What is the InChIKey of 1-(2-methylcyclohexyl)oxybutan-2-one?
The InChIKey is YPZUGCBIKURVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-10(12)8-13-11-7-5-4-6-9(11)2/h9,11H,3-8H2,1-2H3.
What are the key properties of 1-(2-methylcyclohexyl)oxybutan-2-one?
1-(2-methylcyclohexyl)oxybutan-2-one has a molecular weight of 184.28 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)oxybutan-2-one is sourced from PubChem (CID 62040617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).