2,3-dihydroxypropyl 2-ethylpentanoate

C10H20O4 — CID 58455240

IUPAC2,3-dihydroxypropyl 2-ethylpentanoate
SMILESCCCC(CC)C(=O)OCC(O)CO
InChIInChI=1S/C10H20O4/c1-3-5-8(4-2)10(13)14-7-9(12)6-11/h8-9,11-12H,3-7H2,1-2H3
InChIKeyDRDUZTADEKWVOR-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.71
Rot. Bonds7

About 2,3-dihydroxypropyl 2-ethylpentanoate

2,3-dihydroxypropyl 2-ethylpentanoate (PubChem CID 58455240) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2,3-dihydroxypropyl 2-ethylpentanoate.

Molecular Properties

Compound Name2,3-dihydroxypropyl 2-ethylpentanoate
PubChem CID58455240
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name2,3-dihydroxypropyl 2-ethylpentanoate
SMILESCCCC(CC)C(=O)OCC(O)CO
InChIInChI=1S/C10H20O4/c1-3-5-8(4-2)10(13)14-7-9(12)6-11/h8-9,11-12H,3-7H2,1-2H3
InChIKeyDRDUZTADEKWVOR-UHFFFAOYSA-N
XLogP0.71
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroxypropyl 2-ethyldodecanoate
CID 175496101
benzoic acid;2,3-dihydroxypropyl 2-ethylhexanoate
CID 67443013
2,3-dihydroxypropyl 2-octylpentatriacontanoate
CID 174634384
2,3-dihydroxypropyl 2-hexadecylicosanoate
CID 175104838
2,3-dihydroxypropyl 2-hexadec-7-enylicos-11-enoate
CID 90771679
2-ethylpentaneperoxoic acid
CID 178072085
2,3-dihydroxypropyl butanoate
CID 175822551
2,3-dihydroxypropyl 2-prop-2-enyloctadecanoate
CID 87556973
11-(2,3-dihydroxypropoxycarbonyl)heptadecanoate
CID 91757308
[(2R)-2-hydroxypropyl] (2R)-2-ethylhexanoate
CID 93482323
2,3-dihydroxypropyl 2-methyltetradecanoate
CID 71388379
bis(2-hydroxypentyl) 2,3-dihydroxybutanedioate
CID 123287429

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl 2-ethylpentanoate?
The IUPAC name of 2,3-dihydroxypropyl 2-ethylpentanoate (CID 58455240) is 2,3-dihydroxypropyl 2-ethylpentanoate.
What is the SMILES notation for 2,3-dihydroxypropyl 2-ethylpentanoate?
The canonical SMILES for 2,3-dihydroxypropyl 2-ethylpentanoate is CCCC(CC)C(=O)OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl 2-ethylpentanoate?
The InChIKey is DRDUZTADEKWVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-3-5-8(4-2)10(13)14-7-9(12)6-11/h8-9,11-12H,3-7H2,1-2H3.
What are the key properties of 2,3-dihydroxypropyl 2-ethylpentanoate?
2,3-dihydroxypropyl 2-ethylpentanoate has a molecular weight of 204.27 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl 2-ethylpentanoate is sourced from PubChem (CID 58455240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).