3,6-dimethyl-6-propan-2-yloxan-2-one

C10H18O2 — CID 140976692

IUPAC3,6-dimethyl-6-propan-2-yloxan-2-one
SMILESCC1CCC(C)(C(C)C)OC1=O
InChIInChI=1S/C10H18O2/c1-7(2)10(4)6-5-8(3)9(11)12-10/h7-8H,5-6H2,1-4H3
InChIKeyWYONIGXDHWCSLU-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.37
Rot. Bonds1

About 3,6-dimethyl-6-propan-2-yloxan-2-one

3,6-dimethyl-6-propan-2-yloxan-2-one (PubChem CID 140976692) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3,6-dimethyl-6-propan-2-yloxan-2-one.

Molecular Properties

Compound Name3,6-dimethyl-6-propan-2-yloxan-2-one
PubChem CID140976692
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3,6-dimethyl-6-propan-2-yloxan-2-one
SMILESCC1CCC(C)(C(C)C)OC1=O
InChIInChI=1S/C10H18O2/c1-7(2)10(4)6-5-8(3)9(11)12-10/h7-8H,5-6H2,1-4H3
InChIKeyWYONIGXDHWCSLU-UHFFFAOYSA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,6-dimethyl-6-propan-2-yloxan-2-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

7-methyl-2,9-dioxaspiro[3.6]decane-1,3,8,10-tetrone
CID 91031833
3-methyl-5,5-di(propan-2-yl)oxolan-2-one
CID 15522304
2,5-dimethyl-2-propan-2-ylcyclopentan-1-one
CID 12835446
3-methyl-1-oxaspiro[4.4]nonan-2-one
CID 11804975
(6S)-3-methyl-6-nonyl-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-one
CID 11258868
2-[(3S,5R)-2,3,5-trimethyl-6-oxooxan-2-yl]propanoic acid
CID 134856413
(5R,6S,9R)-3,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.5]decan-2-one
CID 45097863
5-(1-bromoethyl)-5-methyloxolan-2-one
CID 130020859
(1R,2S,5R)-7-oxo-5-propan-2-yl-6-oxabicyclo[3.2.1]octane-2-carboxylic acid
CID 869513
5,6,6-trimethyloxan-2-one
CID 20872380
1,4-dimethyl-5,10-dioxatricyclo[5.3.0.04,8]decane-6,9-dione
CID 3076047
(6R)-3,3,6-trimethyl-5,6-dihydro-4H-cyclopenta[c]furan-1-one
CID 102305467

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-6-propan-2-yloxan-2-one?
The IUPAC name of 3,6-dimethyl-6-propan-2-yloxan-2-one (CID 140976692) is 3,6-dimethyl-6-propan-2-yloxan-2-one.
What is the SMILES notation for 3,6-dimethyl-6-propan-2-yloxan-2-one?
The canonical SMILES for 3,6-dimethyl-6-propan-2-yloxan-2-one is CC1CCC(C)(C(C)C)OC1=O.
What is the InChIKey of 3,6-dimethyl-6-propan-2-yloxan-2-one?
The InChIKey is WYONIGXDHWCSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-7(2)10(4)6-5-8(3)9(11)12-10/h7-8H,5-6H2,1-4H3.
What are the key properties of 3,6-dimethyl-6-propan-2-yloxan-2-one?
3,6-dimethyl-6-propan-2-yloxan-2-one has a molecular weight of 170.25 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-6-propan-2-yloxan-2-one is sourced from PubChem (CID 140976692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).