3-(2-methoxy-2-methylpropyl)-3,5-dimethyloxolan-2-one

C11H20O3 — CID 164773995

IUPAC3-(2-methoxy-2-methylpropyl)-3,5-dimethyloxolan-2-one
SMILESCOC(C)(C)CC1(C)CC(C)OC1=O
InChIInChI=1S/C11H20O3/c1-8-6-11(4,9(12)14-8)7-10(2,3)13-5/h8H,6-7H2,1-5H3
InChIKeyTYBDMMBYDFIPAM-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.14
Rot. Bonds3

About 3-(2-methoxy-2-methylpropyl)-3,5-dimethyloxolan-2-one

3-(2-methoxy-2-methylpropyl)-3,5-dimethyloxolan-2-one (PubChem CID 164773995) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-(2-methoxy-2-methylpropyl)-3,5-dimethyloxolan-2-one.

Molecular Properties

Compound Name3-(2-methoxy-2-methylpropyl)-3,5-dimethyloxolan-2-one
PubChem CID164773995
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name3-(2-methoxy-2-methylpropyl)-3,5-dimethyloxolan-2-one
SMILESCOC(C)(C)CC1(C)CC(C)OC1=O
InChIInChI=1S/C11H20O3/c1-8-6-11(4,9(12)14-8)7-10(2,3)13-5/h8H,6-7H2,1-5H3
InChIKeyTYBDMMBYDFIPAM-UHFFFAOYSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,8S)-3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
CID 706401
3,3,8-trimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
CID 13424781
(3S)-3-[(3R,5S)-3-ethyl-5-methyl-2-oxooxolan-3-yl]-3-methoxypropanoic acid
CID 10585537
3-(2-bromoacetyl)-3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
CID 71401739
(3S,5S)-3-[(1S,2R,5R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,5-dimethyl-4-oxocyclohexyl]-3,5-dimethyloxolan-2-one
CID 100985279
2-amino-4-(2-methoxy-2-methylpropyl)-4-methyl-1H-imidazol-5-one
CID 82996623
ethyl 5-methyl-2-oxo-3-propyloxolane-3-carboxylate
CID 3637605
methyl 5-(deuteriomethyl)-3-methyl-2-oxooxolane-3-carboxylate
CID 25216298
5-tert-butyl-3-(2,2-dimethylpropyl)-3-methyloxonan-2-one
CID 167604700
3,3,4,6-tetramethylmorpholin-2-one
CID 19910046
methyl 3-(2-methoxy-2-methylpropyl)-2,3-dimethyloxirane-2-carboxylate
CID 66436756
1-(2-methoxy-2-methylpropoxy)-2,2,4,6,6-pentamethylpiperidine
CID 23403038

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-2-methylpropyl)-3,5-dimethyloxolan-2-one?
The IUPAC name of 3-(2-methoxy-2-methylpropyl)-3,5-dimethyloxolan-2-one (CID 164773995) is 3-(2-methoxy-2-methylpropyl)-3,5-dimethyloxolan-2-one.
What is the SMILES notation for 3-(2-methoxy-2-methylpropyl)-3,5-dimethyloxolan-2-one?
The canonical SMILES for 3-(2-methoxy-2-methylpropyl)-3,5-dimethyloxolan-2-one is COC(C)(C)CC1(C)CC(C)OC1=O.
What is the InChIKey of 3-(2-methoxy-2-methylpropyl)-3,5-dimethyloxolan-2-one?
The InChIKey is TYBDMMBYDFIPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-8-6-11(4,9(12)14-8)7-10(2,3)13-5/h8H,6-7H2,1-5H3.
What are the key properties of 3-(2-methoxy-2-methylpropyl)-3,5-dimethyloxolan-2-one?
3-(2-methoxy-2-methylpropyl)-3,5-dimethyloxolan-2-one has a molecular weight of 200.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-2-methylpropyl)-3,5-dimethyloxolan-2-one is sourced from PubChem (CID 164773995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).