3-methyl-5,5-di(propan-2-yl)oxolan-2-one

C11H20O2 — CID 15522304

IUPAC3-methyl-5,5-di(propan-2-yl)oxolan-2-one
SMILESCC1CC(C(C)C)(C(C)C)OC1=O
InChIInChI=1S/C11H20O2/c1-7(2)11(8(3)4)6-9(5)10(12)13-11/h7-9H,6H2,1-5H3
InChIKeyYXGBVMOPAYVDGG-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.62
Rot. Bonds2

About 3-methyl-5,5-di(propan-2-yl)oxolan-2-one

3-methyl-5,5-di(propan-2-yl)oxolan-2-one (PubChem CID 15522304) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-methyl-5,5-di(propan-2-yl)oxolan-2-one.

Molecular Properties

Compound Name3-methyl-5,5-di(propan-2-yl)oxolan-2-one
PubChem CID15522304
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-methyl-5,5-di(propan-2-yl)oxolan-2-one
SMILESCC1CC(C(C)C)(C(C)C)OC1=O
InChIInChI=1S/C11H20O2/c1-7(2)11(8(3)4)6-9(5)10(12)13-11/h7-9H,6H2,1-5H3
InChIKeyYXGBVMOPAYVDGG-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-dimethyl-6-propan-2-yloxan-2-one
CID 140976692
3-methyl-1-oxaspiro[4.4]nonan-2-one
CID 11804975
(5R,6S,9R)-3,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.5]decan-2-one
CID 45097863
3-methyl-5,5-bis(prop-2-enyl)oxolan-2-one
CID 11182979
(3S,5S)-3,5-dimethyl-5-phenyloxolan-2-one
CID 11745429
2,3-dimethylbutane;methane;2-methylbut-2-ene;2-methylpropan-2-ol;2,2,3-trimethylbutane;3,5,5-trimethyloxolan-2-one
CID 158395536
2-[(3S,5R)-2,3,5-trimethyl-6-oxooxan-2-yl]propanoic acid
CID 134856413
(1R,2S,5R)-7-oxo-5-propan-2-yl-6-oxabicyclo[3.2.1]octane-2-carboxylic acid
CID 869513
(3R,5R)-5-(1,3-benzodioxol-5-yl)-3,5-dimethyloxolan-2-one
CID 101087163
2,9-dimethyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-one
CID 68641707
7-methyl-2,9-dioxaspiro[3.6]decane-1,3,8,10-tetrone
CID 91031833
2,5-dimethyl-2-propan-2-ylcyclopentan-1-one
CID 12835446

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,5-di(propan-2-yl)oxolan-2-one?
The IUPAC name of 3-methyl-5,5-di(propan-2-yl)oxolan-2-one (CID 15522304) is 3-methyl-5,5-di(propan-2-yl)oxolan-2-one.
What is the SMILES notation for 3-methyl-5,5-di(propan-2-yl)oxolan-2-one?
The canonical SMILES for 3-methyl-5,5-di(propan-2-yl)oxolan-2-one is CC1CC(C(C)C)(C(C)C)OC1=O.
What is the InChIKey of 3-methyl-5,5-di(propan-2-yl)oxolan-2-one?
The InChIKey is YXGBVMOPAYVDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-7(2)11(8(3)4)6-9(5)10(12)13-11/h7-9H,6H2,1-5H3.
What are the key properties of 3-methyl-5,5-di(propan-2-yl)oxolan-2-one?
3-methyl-5,5-di(propan-2-yl)oxolan-2-one has a molecular weight of 184.28 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,5-di(propan-2-yl)oxolan-2-one is sourced from PubChem (CID 15522304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).