4-(1-methoxycyclohexyl)butan-2-one

C11H20O2 — CID 21049809

IUPAC4-(1-methoxycyclohexyl)butan-2-one
SMILESCOC1(CCC(C)=O)CCCCC1
InChIInChI=1S/C11H20O2/c1-10(12)6-9-11(13-2)7-4-3-5-8-11/h3-9H2,1-2H3
InChIKeyMXRIMDNOMLIRIE-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.70
Rot. Bonds4

About 4-(1-methoxycyclohexyl)butan-2-one

4-(1-methoxycyclohexyl)butan-2-one (PubChem CID 21049809) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-(1-methoxycyclohexyl)butan-2-one.

Molecular Properties

Compound Name4-(1-methoxycyclohexyl)butan-2-one
PubChem CID21049809
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name4-(1-methoxycyclohexyl)butan-2-one
SMILESCOC1(CCC(C)=O)CCCCC1
InChIInChI=1S/C11H20O2/c1-10(12)6-9-11(13-2)7-4-3-5-8-11/h3-9H2,1-2H3
InChIKeyMXRIMDNOMLIRIE-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 4-(1-methoxycyclohexyl)butan-2-one?
The IUPAC name of 4-(1-methoxycyclohexyl)butan-2-one (CID 21049809) is 4-(1-methoxycyclohexyl)butan-2-one.
What is the SMILES notation for 4-(1-methoxycyclohexyl)butan-2-one?
The canonical SMILES for 4-(1-methoxycyclohexyl)butan-2-one is COC1(CCC(C)=O)CCCCC1.
What is the InChIKey of 4-(1-methoxycyclohexyl)butan-2-one?
The InChIKey is MXRIMDNOMLIRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(12)6-9-11(13-2)7-4-3-5-8-11/h3-9H2,1-2H3.
What are the key properties of 4-(1-methoxycyclohexyl)butan-2-one?
4-(1-methoxycyclohexyl)butan-2-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 4-(1-methoxycyclohexyl)butan-2-one is sourced from PubChem (CID 21049809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).