3-(2-cyclohexylethyl)-5-hydroxypentanoic acid

C13H24O3 — CID 19807422

IUPAC3-(2-cyclohexylethyl)-5-hydroxypentanoic acid
SMILESO=C(O)CC(CCO)CCC1CCCCC1
InChIInChI=1S/C13H24O3/c14-9-8-12(10-13(15)16)7-6-11-4-2-1-3-5-11/h11-12,14H,1-10H2,(H,15,16)
InChIKeyIWGLJMAKWMTZQQ-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.82
Rot. Bonds7

About 3-(2-cyclohexylethyl)-5-hydroxypentanoic acid

3-(2-cyclohexylethyl)-5-hydroxypentanoic acid (PubChem CID 19807422) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 3-(2-cyclohexylethyl)-5-hydroxypentanoic acid.

Molecular Properties

Compound Name3-(2-cyclohexylethyl)-5-hydroxypentanoic acid
PubChem CID19807422
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name3-(2-cyclohexylethyl)-5-hydroxypentanoic acid
SMILESO=C(O)CC(CCO)CCC1CCCCC1
InChIInChI=1S/C13H24O3/c14-9-8-12(10-13(15)16)7-6-11-4-2-1-3-5-11/h11-12,14H,1-10H2,(H,15,16)
InChIKeyIWGLJMAKWMTZQQ-UHFFFAOYSA-N
XLogP2.82
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-cyclohexyl-3-methylhexanoic acid
CID 165358619
2-(2-cyclopentylethyl)propanedioic acid
CID 23186368
8-cyclohexyl-3-hydroxyoctanoic acid
CID 123754175
4-(2-cyclohexylethoxy)-3-(hydroxymethyl)-4-oxobutanoic acid
CID 174783530
(3R,5R)-3-amino-8-cyclohexyl-5-methyloctanoic acid
CID 68855233
[7-cyclohexyl-4-(2-cyclohexylethyl)heptyl]cyclohexane
CID 71438405
calcium;3-cyclopentylpropanoic acid;hydride
CID 173013179
(3S)-3-(aminomethyl)-6-cyclohexyl-5-methylhexanoic acid
CID 56994800
N-[(3S)-1-cyclohexyl-4,4-dimethylpentan-3-yl]acetamide
CID 156887281
(3R)-3-(4-cyclohexylbutan-2-ylamino)butan-1-ol
CID 103871740
5-cyclohexyl-2-(2-cyclohexylethyl)pentanoic acid
CID 22665106
3-amino-8-cyclopentyl-4-ethyl-6-methyloctanoic acid
CID 69267248

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylethyl)-5-hydroxypentanoic acid?
The IUPAC name of 3-(2-cyclohexylethyl)-5-hydroxypentanoic acid (CID 19807422) is 3-(2-cyclohexylethyl)-5-hydroxypentanoic acid.
What is the SMILES notation for 3-(2-cyclohexylethyl)-5-hydroxypentanoic acid?
The canonical SMILES for 3-(2-cyclohexylethyl)-5-hydroxypentanoic acid is O=C(O)CC(CCO)CCC1CCCCC1.
What is the InChIKey of 3-(2-cyclohexylethyl)-5-hydroxypentanoic acid?
The InChIKey is IWGLJMAKWMTZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c14-9-8-12(10-13(15)16)7-6-11-4-2-1-3-5-11/h11-12,14H,1-10H2,(H,15,16).
What are the key properties of 3-(2-cyclohexylethyl)-5-hydroxypentanoic acid?
3-(2-cyclohexylethyl)-5-hydroxypentanoic acid has a molecular weight of 228.33 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylethyl)-5-hydroxypentanoic acid is sourced from PubChem (CID 19807422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).