ethyl 3,5-dihydroxy-2-propylpentanoate

C10H20O4 — CID 89428861

IUPACethyl 3,5-dihydroxy-2-propylpentanoate
SMILESCCCC(C(=O)OCC)C(O)CCO
InChIInChI=1S/C10H20O4/c1-3-5-8(9(12)6-7-11)10(13)14-4-2/h8-9,11-12H,3-7H2,1-2H3
InChIKeySFWWFHCHOCBLCR-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.71
Rot. Bonds7

About ethyl 3,5-dihydroxy-2-propylpentanoate

ethyl 3,5-dihydroxy-2-propylpentanoate (PubChem CID 89428861) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is ethyl 3,5-dihydroxy-2-propylpentanoate.

Molecular Properties

Compound Nameethyl 3,5-dihydroxy-2-propylpentanoate
PubChem CID89428861
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Nameethyl 3,5-dihydroxy-2-propylpentanoate
SMILESCCCC(C(=O)OCC)C(O)CCO
InChIInChI=1S/C10H20O4/c1-3-5-8(9(12)6-7-11)10(13)14-4-2/h8-9,11-12H,3-7H2,1-2H3
InChIKeySFWWFHCHOCBLCR-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

ethyl 5-ethylsulfanyl-3-hydroxy-2-propylpentanoate
CID 116505049
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CID 175541999
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CID 123662696
ethyl 2-(diethoxymethyl)pentanoate
CID 24973425
diethyl (2S,3S)-2,3-bis(hydroxymethyl)butanedioate
CID 134885080
ethyl (2R,3S)-3-hydroxy-2-propylpent-4-enoate
CID 93481404
ethyl 3-amino-2-ethylbutanoate
CID 123616344
ethyl 2-benzyl-3-hydroxyhexanoate
CID 134853996
ethyl 2-bromo-4-hydroxybutanoate
CID 13439669
ethyl 2-amino-3-hydroxy-4-methylheptanoate
CID 66206751
octane-1,3,4,5-tetrol
CID 18506400
ethane;ethyl 3-amino-2-hydroxyhexanoate
CID 143089421

Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-dihydroxy-2-propylpentanoate?
The IUPAC name of ethyl 3,5-dihydroxy-2-propylpentanoate (CID 89428861) is ethyl 3,5-dihydroxy-2-propylpentanoate.
What is the SMILES notation for ethyl 3,5-dihydroxy-2-propylpentanoate?
The canonical SMILES for ethyl 3,5-dihydroxy-2-propylpentanoate is CCCC(C(=O)OCC)C(O)CCO.
What is the InChIKey of ethyl 3,5-dihydroxy-2-propylpentanoate?
The InChIKey is SFWWFHCHOCBLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-3-5-8(9(12)6-7-11)10(13)14-4-2/h8-9,11-12H,3-7H2,1-2H3.
What are the key properties of ethyl 3,5-dihydroxy-2-propylpentanoate?
ethyl 3,5-dihydroxy-2-propylpentanoate 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 ethyl 3,5-dihydroxy-2-propylpentanoate is sourced from PubChem (CID 89428861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).