1-(1-methoxycyclohexyl)butan-1-one

C11H20O2 — CID 83225702

IUPAC1-(1-methoxycyclohexyl)butan-1-one
SMILESCCCC(=O)C1(OC)CCCCC1
InChIInChI=1S/C11H20O2/c1-3-7-10(12)11(13-2)8-5-4-6-9-11/h3-9H2,1-2H3
InChIKeyHCQFNOYJBCTVDV-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.70
Rot. Bonds4

About 1-(1-methoxycyclohexyl)butan-1-one

1-(1-methoxycyclohexyl)butan-1-one (PubChem CID 83225702) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(1-methoxycyclohexyl)butan-1-one.

Molecular Properties

Compound Name1-(1-methoxycyclohexyl)butan-1-one
PubChem CID83225702
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-(1-methoxycyclohexyl)butan-1-one
SMILESCCCC(=O)C1(OC)CCCCC1
InChIInChI=1S/C11H20O2/c1-3-7-10(12)11(13-2)8-5-4-6-9-11/h3-9H2,1-2H3
InChIKeyHCQFNOYJBCTVDV-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclohexyl)butan-1-one?
The IUPAC name of 1-(1-methoxycyclohexyl)butan-1-one (CID 83225702) is 1-(1-methoxycyclohexyl)butan-1-one.
What is the SMILES notation for 1-(1-methoxycyclohexyl)butan-1-one?
The canonical SMILES for 1-(1-methoxycyclohexyl)butan-1-one is CCCC(=O)C1(OC)CCCCC1.
What is the InChIKey of 1-(1-methoxycyclohexyl)butan-1-one?
The InChIKey is HCQFNOYJBCTVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-7-10(12)11(13-2)8-5-4-6-9-11/h3-9H2,1-2H3.
What are the key properties of 1-(1-methoxycyclohexyl)butan-1-one?
1-(1-methoxycyclohexyl)butan-1-one has a molecular weight of 184.28 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclohexyl)butan-1-one is sourced from PubChem (CID 83225702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).