4-ethyl-4-hydroxyhexanoic acid

C8H16O3 — CID 18462839

IUPAC4-ethyl-4-hydroxyhexanoic acid
SMILESCCC(O)(CC)CCC(=O)O
InChIInChI=1S/C8H16O3/c1-3-8(11,4-2)6-5-7(9)10/h11H,3-6H2,1-2H3,(H,9,10)
InChIKeyITDTYAGDPIEMLC-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.40
Rot. Bonds5

About 4-ethyl-4-hydroxyhexanoic acid

4-ethyl-4-hydroxyhexanoic acid (PubChem CID 18462839) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 4-ethyl-4-hydroxyhexanoic acid.

Molecular Properties

Compound Name4-ethyl-4-hydroxyhexanoic acid
PubChem CID18462839
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name4-ethyl-4-hydroxyhexanoic acid
SMILESCCC(O)(CC)CCC(=O)O
InChIInChI=1S/C8H16O3/c1-3-8(11,4-2)6-5-7(9)10/h11H,3-6H2,1-2H3,(H,9,10)
InChIKeyITDTYAGDPIEMLC-UHFFFAOYSA-N
XLogP1.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-5-hydroxyheptan-2-one
CID 114494669
4,4-diethylheptanoic acid
CID 155796447
4,4-dimethylhexanoic acid
CID 12563914
3-ethyl-3-hydroxypentanoic acid
CID 11513768
4-methyl-4-propylheptanoic acid
CID 155199633
4,4-dihydroxyheptanedioic acid
CID 87892288
(2S)-2-hydroxy-2-methylpentanedioic acid
CID 87384550
1-aminopropane-1,1-diol;butanedioic acid
CID 175193728
4-cyano-4-hydroxyhexanoic acid
CID 175365239
4-cyclopropyl-4-hydroxyhexanoic acid
CID 66322973
4-ethyl-4-formylheptanedioic acid
CID 102446451
(2R)-2-ethyl-2-hydroxypentanoic acid
CID 10725485

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-hydroxyhexanoic acid?
The IUPAC name of 4-ethyl-4-hydroxyhexanoic acid (CID 18462839) is 4-ethyl-4-hydroxyhexanoic acid.
What is the SMILES notation for 4-ethyl-4-hydroxyhexanoic acid?
The canonical SMILES for 4-ethyl-4-hydroxyhexanoic acid is CCC(O)(CC)CCC(=O)O.
What is the InChIKey of 4-ethyl-4-hydroxyhexanoic acid?
The InChIKey is ITDTYAGDPIEMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-8(11,4-2)6-5-7(9)10/h11H,3-6H2,1-2H3,(H,9,10).
What are the key properties of 4-ethyl-4-hydroxyhexanoic acid?
4-ethyl-4-hydroxyhexanoic acid has a molecular weight of 160.21 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-hydroxyhexanoic acid is sourced from PubChem (CID 18462839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).