2,3-diethyl-3-hydroxyheptanoic acid

C11H22O3 — CID 57207381

IUPAC2,3-diethyl-3-hydroxyheptanoic acid
SMILESCCCCC(O)(CC)C(CC)C(=O)O
InChIInChI=1S/C11H22O3/c1-4-7-8-11(14,6-3)9(5-2)10(12)13/h9,14H,4-8H2,1-3H3,(H,12,13)
InChIKeyCODYBIJDTMKNSC-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.43
Rot. Bonds7

About 2,3-diethyl-3-hydroxyheptanoic acid

2,3-diethyl-3-hydroxyheptanoic acid (PubChem CID 57207381) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2,3-diethyl-3-hydroxyheptanoic acid.

Molecular Properties

Compound Name2,3-diethyl-3-hydroxyheptanoic acid
PubChem CID57207381
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2,3-diethyl-3-hydroxyheptanoic acid
SMILESCCCCC(O)(CC)C(CC)C(=O)O
InChIInChI=1S/C11H22O3/c1-4-7-8-11(14,6-3)9(5-2)10(12)13/h9,14H,4-8H2,1-3H3,(H,12,13)
InChIKeyCODYBIJDTMKNSC-UHFFFAOYSA-N
XLogP2.43
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-ethyl-3-hydroxy-2-propylheptanoate
CID 83043578
2-ethyl-3,4-dihydroxy-3-(hydroxymethyl)butanoic acid
CID 20669294
2-ethyl-3,3-dimethyltetradecanoic acid
CID 175257487
2,3-dibutyl-2-hydroxybutanedioic acid
CID 18463835
3-ethyl-2-methylnonan-3-ol
CID 65146597
(2R)-2-ethyl-3,3-dimethylbutanoic acid
CID 87414884
2-ethyl-2-hydroxyhexanoic acid
CID 20700530
2,2-dihydroxyhexanoic acid;2-hydroxyhexanoic acid
CID 161085077
2-ethyl-2-hydroxy-3-tridecylbutanedioic acid
CID 151671490
3-butyl-3-hydroxyheptan-2-one
CID 11521205
3-butylheptane-2,3-diol
CID 11008688
3-ethyl-3-hydroxy-2-methylpentanoic acid
CID 13460237

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-3-hydroxyheptanoic acid?
The IUPAC name of 2,3-diethyl-3-hydroxyheptanoic acid (CID 57207381) is 2,3-diethyl-3-hydroxyheptanoic acid.
What is the SMILES notation for 2,3-diethyl-3-hydroxyheptanoic acid?
The canonical SMILES for 2,3-diethyl-3-hydroxyheptanoic acid is CCCCC(O)(CC)C(CC)C(=O)O.
What is the InChIKey of 2,3-diethyl-3-hydroxyheptanoic acid?
The InChIKey is CODYBIJDTMKNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-4-7-8-11(14,6-3)9(5-2)10(12)13/h9,14H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 2,3-diethyl-3-hydroxyheptanoic acid?
2,3-diethyl-3-hydroxyheptanoic acid has a molecular weight of 202.29 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-3-hydroxyheptanoic acid is sourced from PubChem (CID 57207381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).