5-(hydroxymethyl)-3,3-dimethyloxolan-2-one

C7H12O3 — CID 574735

IUPAC5-(hydroxymethyl)-3,3-dimethyloxolan-2-one
SMILESCC1(C)CC(CO)OC1=O
InChIInChI=1S/C7H12O3/c1-7(2)3-5(4-8)10-6(7)9/h5,8H,3-4H2,1-2H3
InChIKeyGOEPRFZWZPCJIN-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.32
Rot. Bonds1

About 5-(hydroxymethyl)-3,3-dimethyloxolan-2-one

5-(hydroxymethyl)-3,3-dimethyloxolan-2-one (PubChem CID 574735) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 5-(hydroxymethyl)-3,3-dimethyloxolan-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-3,3-dimethyloxolan-2-one
PubChem CID574735
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name5-(hydroxymethyl)-3,3-dimethyloxolan-2-one
SMILESCC1(C)CC(CO)OC1=O
InChIInChI=1S/C7H12O3/c1-7(2)3-5(4-8)10-6(7)9/h5,8H,3-4H2,1-2H3
InChIKeyGOEPRFZWZPCJIN-UHFFFAOYSA-N
XLogP0.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5S)-3-bromo-3-fluoro-5-(hydroxymethyl)oxolan-2-one
CID 129098089
5-(hydroxymethyl)-3,3-bis(trifluoromethyl)oxolan-2-one
CID 14811838
5-(hydroxymethyl)-3-(1-hydroxy-4-methylpentyl)-3-methyloxolan-2-one
CID 163139752
6-(chloromethyl)-3,3-dimethyloxan-2-one
CID 102192933
(3R,4S,6R)-3-ethyl-4-hydroxy-6-(hydroxymethyl)-3-methyloxan-2-one
CID 51693574
benzyl 2-[(2R)-4,4-dimethyl-5-oxooxolan-2-yl]acetate
CID 154722542
3,3-dimethyl-5-(trifluoromethyl)oxolan-2-one
CID 11095248
[(2S)-4,4-dimethyl-5-oxooxolan-2-yl]methyl 4-methylbenzenesulfonate
CID 132850180
(4,4-dimethyl-5-oxooxolan-2-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 68821741
2-[(2R)-4,4-dimethyl-5-oxooxolan-2-yl]ethyl 4-methylbenzenesulfonate
CID 118947151
tert-butyl (3S)-3-(hydroxymethyl)-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 97312173
(3S,8R)-3,8-bis(chloromethyl)-2,7-dioxaspiro[4.4]nonane-1,6-dione
CID 12711615

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-3,3-dimethyloxolan-2-one?
The IUPAC name of 5-(hydroxymethyl)-3,3-dimethyloxolan-2-one (CID 574735) is 5-(hydroxymethyl)-3,3-dimethyloxolan-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-3,3-dimethyloxolan-2-one?
The canonical SMILES for 5-(hydroxymethyl)-3,3-dimethyloxolan-2-one is CC1(C)CC(CO)OC1=O.
What is the InChIKey of 5-(hydroxymethyl)-3,3-dimethyloxolan-2-one?
The InChIKey is GOEPRFZWZPCJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-7(2)3-5(4-8)10-6(7)9/h5,8H,3-4H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-3,3-dimethyloxolan-2-one?
5-(hydroxymethyl)-3,3-dimethyloxolan-2-one has a molecular weight of 144.17 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-3,3-dimethyloxolan-2-one is sourced from PubChem (CID 574735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).