2,3-dihydroxy-5-(1-hydroxypropan-2-yloxy)cyclohexane-1-carboxylic acid

C10H18O6 — CID 170458140

IUPAC2,3-dihydroxy-5-(1-hydroxypropan-2-yloxy)cyclohexane-1-carboxylic acid
SMILESCC(CO)OC1CC(O)C(O)C(C(=O)O)C1
InChIInChI=1S/C10H18O6/c1-5(4-11)16-6-2-7(10(14)15)9(13)8(12)3-6/h5-9,11-13H,2-4H2,1H3,(H,14,15)
InChIKeyKDQSEOWCONBFQD-UHFFFAOYSA-N
MW234.25 g/mol
LogP-1.03
Rot. Bonds4

About 2,3-dihydroxy-5-(1-hydroxypropan-2-yloxy)cyclohexane-1-carboxylic acid

2,3-dihydroxy-5-(1-hydroxypropan-2-yloxy)cyclohexane-1-carboxylic acid (PubChem CID 170458140) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2,3-dihydroxy-5-(1-hydroxypropan-2-yloxy)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2,3-dihydroxy-5-(1-hydroxypropan-2-yloxy)cyclohexane-1-carboxylic acid
PubChem CID170458140
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Name2,3-dihydroxy-5-(1-hydroxypropan-2-yloxy)cyclohexane-1-carboxylic acid
SMILESCC(CO)OC1CC(O)C(O)C(C(=O)O)C1
InChIInChI=1S/C10H18O6/c1-5(4-11)16-6-2-7(10(14)15)9(13)8(12)3-6/h5-9,11-13H,2-4H2,1H3,(H,14,15)
InChIKeyKDQSEOWCONBFQD-UHFFFAOYSA-N
XLogP-1.03
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroxycyclobutane-1-carboxylic acid
CID 174933453
(1R,2S,4R,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylic acid
CID 68905410
2-(3-aminocyclopentyl)oxypropan-1-ol
CID 130502869
(1S,2R,3R)-2,3-dihydroxycyclopentane-1-carboxylic acid
CID 45084677
2-(4-aminocyclohexyl)oxypropan-1-ol
CID 130502573
(1S,2S,4R,5S)-4,5-dihydroxy-2-methoxycarbonylcyclohexane-1-carboxylic acid
CID 10856936
4-hydroxy-5-propan-2-ylcyclohexane-1,3-dicarboxylic acid
CID 168747858
(1R,4S,4aR,8aR)-4-[(2S)-1-hydroxypropan-2-yl]-6-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalene-1-carboxylic acid
CID 139590235
(1S,6R)-6-(1-hydroxypropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962101
4-butan-2-yloxycyclohexane-1-carboxylic acid
CID 90797146
6-(10-methylundecan-2-yloxycarbonyl)cyclohex-3-ene-1-carboxylic acid
CID 69473661
(8R)-8-[(2R,3S,5R)-3,5-dihydroxy-6-methyloxan-2-yl]oxynonanoic acid
CID 90448377

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-5-(1-hydroxypropan-2-yloxy)cyclohexane-1-carboxylic acid?
The IUPAC name of 2,3-dihydroxy-5-(1-hydroxypropan-2-yloxy)cyclohexane-1-carboxylic acid (CID 170458140) is 2,3-dihydroxy-5-(1-hydroxypropan-2-yloxy)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2,3-dihydroxy-5-(1-hydroxypropan-2-yloxy)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2,3-dihydroxy-5-(1-hydroxypropan-2-yloxy)cyclohexane-1-carboxylic acid is CC(CO)OC1CC(O)C(O)C(C(=O)O)C1.
What is the InChIKey of 2,3-dihydroxy-5-(1-hydroxypropan-2-yloxy)cyclohexane-1-carboxylic acid?
The InChIKey is KDQSEOWCONBFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O6/c1-5(4-11)16-6-2-7(10(14)15)9(13)8(12)3-6/h5-9,11-13H,2-4H2,1H3,(H,14,15).
What are the key properties of 2,3-dihydroxy-5-(1-hydroxypropan-2-yloxy)cyclohexane-1-carboxylic acid?
2,3-dihydroxy-5-(1-hydroxypropan-2-yloxy)cyclohexane-1-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of -1.03, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-5-(1-hydroxypropan-2-yloxy)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 170458140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).