2-(1-methoxybutyl)cyclohexan-1-one

C11H20O2 — CID 12570585

IUPAC2-(1-methoxybutyl)cyclohexan-1-one
SMILESCCCC(OC)C1CCCCC1=O
InChIInChI=1S/C11H20O2/c1-3-6-11(13-2)9-7-4-5-8-10(9)12/h9,11H,3-8H2,1-2H3
InChIKeyPUFNZXVRYYTMGR-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.56
Rot. Bonds4

About 2-(1-methoxybutyl)cyclohexan-1-one

2-(1-methoxybutyl)cyclohexan-1-one (PubChem CID 12570585) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(1-methoxybutyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(1-methoxybutyl)cyclohexan-1-one
PubChem CID12570585
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-(1-methoxybutyl)cyclohexan-1-one
SMILESCCCC(OC)C1CCCCC1=O
InChIInChI=1S/C11H20O2/c1-3-6-11(13-2)9-7-4-5-8-10(9)12/h9,11H,3-8H2,1-2H3
InChIKeyPUFNZXVRYYTMGR-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 2-(1-methoxybutyl)cyclohexan-1-one?
The IUPAC name of 2-(1-methoxybutyl)cyclohexan-1-one (CID 12570585) is 2-(1-methoxybutyl)cyclohexan-1-one.
What is the SMILES notation for 2-(1-methoxybutyl)cyclohexan-1-one?
The canonical SMILES for 2-(1-methoxybutyl)cyclohexan-1-one is CCCC(OC)C1CCCCC1=O.
What is the InChIKey of 2-(1-methoxybutyl)cyclohexan-1-one?
The InChIKey is PUFNZXVRYYTMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-6-11(13-2)9-7-4-5-8-10(9)12/h9,11H,3-8H2,1-2H3.
What are the key properties of 2-(1-methoxybutyl)cyclohexan-1-one?
2-(1-methoxybutyl)cyclohexan-1-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 2-(1-methoxybutyl)cyclohexan-1-one is sourced from PubChem (CID 12570585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).