4-cyclopropyl-4-hydroxyhexanoic acid

C9H16O3 — CID 66322973

IUPAC4-cyclopropyl-4-hydroxyhexanoic acid
SMILESCCC(O)(CCC(=O)O)C1CC1
InChIInChI=1S/C9H16O3/c1-2-9(12,7-3-4-7)6-5-8(10)11/h7,12H,2-6H2,1H3,(H,10,11)
InChIKeyZMFLXXTUEOWQNF-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.40
Rot. Bonds5

About 4-cyclopropyl-4-hydroxyhexanoic acid

4-cyclopropyl-4-hydroxyhexanoic acid (PubChem CID 66322973) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 4-cyclopropyl-4-hydroxyhexanoic acid.

Molecular Properties

Compound Name4-cyclopropyl-4-hydroxyhexanoic acid
PubChem CID66322973
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name4-cyclopropyl-4-hydroxyhexanoic acid
SMILESCCC(O)(CCC(=O)O)C1CC1
InChIInChI=1S/C9H16O3/c1-2-9(12,7-3-4-7)6-5-8(10)11/h7,12H,2-6H2,1H3,(H,10,11)
InChIKeyZMFLXXTUEOWQNF-UHFFFAOYSA-N
XLogP1.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopropyl-4-hydroxypentanoic acid
CID 66324061
4-ethyl-4-hydroxyhexanoic acid
CID 18462839
3-cyclopentylpentan-3-ol;sulfane
CID 160773111
4,4-dimethylhexanoic acid
CID 12563914
1-cyclopentyl-2-cyclopropylbutan-2-ol
CID 65153921
2,2-dicyclopropylbutanoic acid
CID 139618787
2-cyclopropyl-1-(cyclopropylamino)butan-2-ol
CID 64919587
2-cyclopropyl-2-hydroxybutanamide;hydrochloride
CID 68852332
3-cyclopropyl-1-(oxolan-2-yl)pentan-3-ol
CID 65161613
4,4-dihydroxyheptanedioic acid
CID 87892288
1-aminopropane-1,1-diol;butanedioic acid
CID 175193728
(2S)-2-hydroxy-2-methylpentanedioic acid
CID 87384550

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-4-hydroxyhexanoic acid?
The IUPAC name of 4-cyclopropyl-4-hydroxyhexanoic acid (CID 66322973) is 4-cyclopropyl-4-hydroxyhexanoic acid.
What is the SMILES notation for 4-cyclopropyl-4-hydroxyhexanoic acid?
The canonical SMILES for 4-cyclopropyl-4-hydroxyhexanoic acid is CCC(O)(CCC(=O)O)C1CC1.
What is the InChIKey of 4-cyclopropyl-4-hydroxyhexanoic acid?
The InChIKey is ZMFLXXTUEOWQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-2-9(12,7-3-4-7)6-5-8(10)11/h7,12H,2-6H2,1H3,(H,10,11).
What are the key properties of 4-cyclopropyl-4-hydroxyhexanoic acid?
4-cyclopropyl-4-hydroxyhexanoic acid has a molecular weight of 172.22 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-cyclopropyl-4-hydroxyhexanoic acid is sourced from PubChem (CID 66322973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).