2-[1-(5-methylfuran-2-yl)butyl]cyclohexan-1-one

C15H22O2 — CID 13197932

IUPAC2-[1-(5-methylfuran-2-yl)butyl]cyclohexan-1-one
SMILESCCCC(c1ccc(C)o1)C1CCCCC1=O
InChIInChI=1S/C15H22O2/c1-3-6-13(15-10-9-11(2)17-15)12-7-4-5-8-14(12)16/h9-10,12-13H,3-8H2,1-2H3
InChIKeyNQTCJPAXRIAMFH-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.23
Rot. Bonds4

About 2-[1-(5-methylfuran-2-yl)butyl]cyclohexan-1-one

2-[1-(5-methylfuran-2-yl)butyl]cyclohexan-1-one (PubChem CID 13197932) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[1-(5-methylfuran-2-yl)butyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-(5-methylfuran-2-yl)butyl]cyclohexan-1-one
PubChem CID13197932
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-[1-(5-methylfuran-2-yl)butyl]cyclohexan-1-one
SMILESCCCC(c1ccc(C)o1)C1CCCCC1=O
InChIInChI=1S/C15H22O2/c1-3-6-13(15-10-9-11(2)17-15)12-7-4-5-8-14(12)16/h9-10,12-13H,3-8H2,1-2H3
InChIKeyNQTCJPAXRIAMFH-UHFFFAOYSA-N
XLogP4.23
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[1-(5-methylfuran-2-yl)butyl]cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-hydroxybutyl)cycloheptan-1-one
CID 22618934
2-(1-methoxybutyl)cyclohexan-1-one
CID 12570585
(2R)-2-[(2R)-heptan-2-yl]cyclohexan-1-one
CID 134922520
(2S)-2-[(2S)-butan-2-yl]cyclohexan-1-one
CID 6992619
(2R)-2-[(2R)-heptan-2-yl]cycloheptan-1-one
CID 134987764
2-[(1S)-1-hydroxypropyl]cyclohexan-1-one
CID 10749429
2-butan-2-ylcyclohexan-1-one;ethanol
CID 175323159
2-[(5-methylfuran-2-yl)methyl]cyclopentan-1-one
CID 13197923
(2S)-2-butan-2-ylcyclopentan-1-one
CID 89019015
1-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]butan-1-amine
CID 115769765
diethyl 2-(2-oxocyclohexyl)butanedioate
CID 6636230
(2S)-2-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]cyclohexan-1-one
CID 11594291

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methylfuran-2-yl)butyl]cyclohexan-1-one?
The IUPAC name of 2-[1-(5-methylfuran-2-yl)butyl]cyclohexan-1-one (CID 13197932) is 2-[1-(5-methylfuran-2-yl)butyl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-(5-methylfuran-2-yl)butyl]cyclohexan-1-one?
The canonical SMILES for 2-[1-(5-methylfuran-2-yl)butyl]cyclohexan-1-one is CCCC(c1ccc(C)o1)C1CCCCC1=O.
What is the InChIKey of 2-[1-(5-methylfuran-2-yl)butyl]cyclohexan-1-one?
The InChIKey is NQTCJPAXRIAMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-3-6-13(15-10-9-11(2)17-15)12-7-4-5-8-14(12)16/h9-10,12-13H,3-8H2,1-2H3.
What are the key properties of 2-[1-(5-methylfuran-2-yl)butyl]cyclohexan-1-one?
2-[1-(5-methylfuran-2-yl)butyl]cyclohexan-1-one has a molecular weight of 234.34 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methylfuran-2-yl)butyl]cyclohexan-1-one is sourced from PubChem (CID 13197932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).