2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one

C14H22O3 — CID 3732429

IUPAC2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one
SMILESCC1CCC(C(C)C)C(OC2C=CC(=O)O2)C1
InChIInChI=1S/C14H22O3/c1-9(2)11-5-4-10(3)8-12(11)16-14-7-6-13(15)17-14/h6-7,9-12,14H,4-5,8H2,1-3H3
InChIKeyURWJVUPZIGIVFZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.90
Rot. Bonds3

About 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one

2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one (PubChem CID 3732429) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one
PubChem CID3732429
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one
SMILESCC1CCC(C(C)C)C(OC2C=CC(=O)O2)C1
InChIInChI=1S/C14H22O3/c1-9(2)11-5-4-10(3)8-12(11)16-14-7-6-13(15)17-14/h6-7,9-12,14H,4-5,8H2,1-3H3
InChIKeyURWJVUPZIGIVFZ-UHFFFAOYSA-N
XLogP2.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-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

(2S)-2-[(1R,2S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2H-furan-5-one
CID 57325346
(2R)-2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2H-furan-5-one
CID 12889153
(2R)-2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2H-furan-5-one
CID 12037499
(2R)-4-chloro-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2H-furan-5-one
CID 102241496
(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
3,4-dichloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one
CID 4049586
(1S,4S,5R)-5-chloro-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-oxabicyclo[3.2.0]heptan-2-one
CID 11087920
(3R,5R)-3-(2-hydroxypropan-2-yl)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one
CID 11098557
(5R,6S)-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-oxaspiro[4.5]dec-3-ene-2,8-dione
CID 15350695
(2R)-4-[(S)-[2-[bis(phenylsulfanyl)methyl]phenyl]-hydroxymethyl]-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2H-furan-5-one
CID 71662366
(1R,2R,3R,6S)-3,6-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]cyclohex-4-ene-1,2-dicarbonitrile
CID 100959979
(2R)-4-[(1R)-4,4-bis(benzenesulfonyl)-1-hydroxybutyl]-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2H-furan-5-one
CID 71662525

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one?
The IUPAC name of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one (CID 3732429) is 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one is CC1CCC(C(C)C)C(OC2C=CC(=O)O2)C1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one?
The InChIKey is URWJVUPZIGIVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-9(2)11-5-4-10(3)8-12(11)16-14-7-6-13(15)17-14/h6-7,9-12,14H,4-5,8H2,1-3H3.
What are the key properties of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one?
2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one has a molecular weight of 238.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one is sourced from PubChem (CID 3732429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).