[(4R)-5-oxo-4-propan-2-yloxolan-2-yl]methyl acetate

C10H16O4 — CID 45140870

IUPAC[(4R)-5-oxo-4-propan-2-yloxolan-2-yl]methyl acetate
SMILESCC(=O)OCC1C[C@H](C(C)C)C(=O)O1
InChIInChI=1S/C10H16O4/c1-6(2)9-4-8(14-10(9)12)5-13-7(3)11/h6,8-9H,4-5H2,1-3H3/t8?,9-/m1/s1
InChIKeyVSWLDSKBDSIQGD-YGPZHTELSA-N
MW200.23 g/mol
LogP1.14
Rot. Bonds3

About [(4R)-5-oxo-4-propan-2-yloxolan-2-yl]methyl acetate

[(4R)-5-oxo-4-propan-2-yloxolan-2-yl]methyl acetate (PubChem CID 45140870) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is [(4R)-5-oxo-4-propan-2-yloxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(4R)-5-oxo-4-propan-2-yloxolan-2-yl]methyl acetate
PubChem CID45140870
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name[(4R)-5-oxo-4-propan-2-yloxolan-2-yl]methyl acetate
SMILESCC(=O)OCC1C[C@H](C(C)C)C(=O)O1
InChIInChI=1S/C10H16O4/c1-6(2)9-4-8(14-10(9)12)5-13-7(3)11/h6,8-9H,4-5H2,1-3H3/t8?,9-/m1/s1
InChIKeyVSWLDSKBDSIQGD-YGPZHTELSA-N
XLogP1.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4,4-Diethyl-5-oxooxolan-2-yl)methyl propanoate
CID 76326638
Tetrahydro-furan-2-carboxylic acid 2-ethyl-hexyl ester
CID 57596281
[(2S,3S)-3-methyl-5-oxooxolan-2-yl]methyl acetate
CID 10855951
(3R,4R,5R)-5-(dimethoxymethyl)-3,4-dimethyloxolan-2-one
CID 11805483
4-Amyloxymethyl-2-formylmethylbutanolide
CID 13667046
2-Oxopropyl-4-isobutoxymethylbutanolide
CID 13811446
2-Oxopropyl-4-isoamyloxymethylbutanolide
CID 13811447
3-(2-Oxopropyl)-5-(propoxymethyl)oxolan-2-one
CID 13811448
(3S,5S)-5-(hydroxymethyl)-3-propan-2-yloxolan-2-one
CID 52348493
ethyl (3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentanoate
CID 59051769
2-(5-Amyloxymethyl-2-oxotetrahydro-3-furyl)-propanoic acid
CID 129741842
4-Propoxymethyl-2-formylmethylbutanolide
CID 129741962

Frequently Asked Questions

What is the IUPAC name of [(4R)-5-oxo-4-propan-2-yloxolan-2-yl]methyl acetate?
The IUPAC name of [(4R)-5-oxo-4-propan-2-yloxolan-2-yl]methyl acetate (CID 45140870) is [(4R)-5-oxo-4-propan-2-yloxolan-2-yl]methyl acetate.
What is the SMILES notation for [(4R)-5-oxo-4-propan-2-yloxolan-2-yl]methyl acetate?
The canonical SMILES for [(4R)-5-oxo-4-propan-2-yloxolan-2-yl]methyl acetate is CC(=O)OCC1C[C@H](C(C)C)C(=O)O1.
What is the InChIKey of [(4R)-5-oxo-4-propan-2-yloxolan-2-yl]methyl acetate?
The InChIKey is VSWLDSKBDSIQGD-YGPZHTELSA-N. The full InChI is InChI=1S/C10H16O4/c1-6(2)9-4-8(14-10(9)12)5-13-7(3)11/h6,8-9H,4-5H2,1-3H3/t8?,9-/m1/s1.
What are the key properties of [(4R)-5-oxo-4-propan-2-yloxolan-2-yl]methyl acetate?
[(4R)-5-oxo-4-propan-2-yloxolan-2-yl]methyl acetate has a molecular weight of 200.23 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-5-oxo-4-propan-2-yloxolan-2-yl]methyl acetate is sourced from PubChem (CID 45140870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).