3-hydroxyoxolan-2-one;3-methyloxolan-2-one

C9H14O5 — CID 160588436

IUPAC3-hydroxyoxolan-2-one;3-methyloxolan-2-one
SMILESCC1CCOC1=O.O=C1OCCC1O
InChIInChI=1S/C5H8O2.C4H6O3/c1-4-2-3-7-5(4)6;5-3-1-2-7-4(3)6/h4H,2-3H2,1H3;3,5H,1-2H2
InChIKeyRCRUTRHPRGXUDS-UHFFFAOYSA-N
MW202.21 g/mol
LogP-0.14
Rot. Bonds

About 3-hydroxyoxolan-2-one;3-methyloxolan-2-one

3-hydroxyoxolan-2-one;3-methyloxolan-2-one (PubChem CID 160588436) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3-hydroxyoxolan-2-one;3-methyloxolan-2-one.

Molecular Properties

Compound Name3-hydroxyoxolan-2-one;3-methyloxolan-2-one
PubChem CID160588436
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Name3-hydroxyoxolan-2-one;3-methyloxolan-2-one
SMILESCC1CCOC1=O.O=C1OCCC1O
InChIInChI=1S/C5H8O2.C4H6O3/c1-4-2-3-7-5(4)6;5-3-1-2-7-4(3)6/h4H,2-3H2,1H3;3,5H,1-2H2
InChIKeyRCRUTRHPRGXUDS-UHFFFAOYSA-N
XLogP-0.14
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-methyloxan-2-one
CID 11804714
(3R)-3-hydroxyoxan-2-one
CID 10313119
(3R,4S)-4-hydroxy-3-methyloxan-2-one
CID 10654248
3,4-dimethyloxan-2-one
CID 13200721
(4S)-4-ethyl-2,2-dimethyl-1,3-dioxolane;3-methyloxolan-2-one
CID 143841960
6-methyl-1,4-dioxacycloheptadecane-5,17-dione
CID 19702284
methyl (3R)-2-oxooxolane-3-carboxylate
CID 86310576
3-(2-methylpropanethioyl)oxolan-2-one
CID 134985759
3-hydroxyoxepan-2-one;prop-2-enoic acid
CID 67564320
7,11,11-trimethyl-1,5-dioxacycloundecan-6-one
CID 118518681
(3R,4R,5S,6R)-3,4,5,6-tetrahydroxyoxocan-2-one
CID 118468529
3,4,5,6-tetrahydroxyoxocan-2-one
CID 174644420

Frequently Asked Questions

What is the IUPAC name of 3-hydroxyoxolan-2-one;3-methyloxolan-2-one?
The IUPAC name of 3-hydroxyoxolan-2-one;3-methyloxolan-2-one (CID 160588436) is 3-hydroxyoxolan-2-one;3-methyloxolan-2-one.
What is the SMILES notation for 3-hydroxyoxolan-2-one;3-methyloxolan-2-one?
The canonical SMILES for 3-hydroxyoxolan-2-one;3-methyloxolan-2-one is CC1CCOC1=O.O=C1OCCC1O.
What is the InChIKey of 3-hydroxyoxolan-2-one;3-methyloxolan-2-one?
The InChIKey is RCRUTRHPRGXUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C4H6O3/c1-4-2-3-7-5(4)6;5-3-1-2-7-4(3)6/h4H,2-3H2,1H3;3,5H,1-2H2.
What are the key properties of 3-hydroxyoxolan-2-one;3-methyloxolan-2-one?
3-hydroxyoxolan-2-one;3-methyloxolan-2-one has a molecular weight of 202.21 g/mol, XLogP of -0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyoxolan-2-one;3-methyloxolan-2-one is sourced from PubChem (CID 160588436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).