2-(1-hydroxy-2-methoxycyclohexyl)hexanoic acid

C13H24O4 — CID 106874319

IUPAC2-(1-hydroxy-2-methoxycyclohexyl)hexanoic acid
SMILESCCCCC(C(=O)O)C1(O)CCCCC1OC
InChIInChI=1S/C13H24O4/c1-3-4-7-10(12(14)15)13(16)9-6-5-8-11(13)17-2/h10-11,16H,3-9H2,1-2H3,(H,14,15)
InChIKeySATHFTKAPJKDQW-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.20
Rot. Bonds6

About 2-(1-hydroxy-2-methoxycyclohexyl)hexanoic acid

2-(1-hydroxy-2-methoxycyclohexyl)hexanoic acid (PubChem CID 106874319) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-(1-hydroxy-2-methoxycyclohexyl)hexanoic acid.

Molecular Properties

Compound Name2-(1-hydroxy-2-methoxycyclohexyl)hexanoic acid
PubChem CID106874319
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name2-(1-hydroxy-2-methoxycyclohexyl)hexanoic acid
SMILESCCCCC(C(=O)O)C1(O)CCCCC1OC
InChIInChI=1S/C13H24O4/c1-3-4-7-10(12(14)15)13(16)9-6-5-8-11(13)17-2/h10-11,16H,3-9H2,1-2H3,(H,14,15)
InChIKeySATHFTKAPJKDQW-UHFFFAOYSA-N
XLogP2.20
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxy-2-methoxycyclohexyl)pentanenitrile
CID 106874794
2-methoxy-1-pentylcyclohexan-1-ol
CID 106873594
(1-butyl-2-methoxycyclohexyl) prop-2-enoate
CID 58734591
2-(1,3-dihydroxynonyl)-2-hydroxycyclooctane-1-carboxylic acid
CID 58914220
1-(2-carboxyhexyl)cyclohexane-1,2-dicarboxylic acid
CID 121349084
1-butyl-2-ethoxycycloundecane-1-carboxylic acid
CID 58781609
1-(3-hydroxypropoxy)-2-methoxycyclohexane-1-carboxylic acid
CID 106875049
2-cyclobutylhexanoic acid
CID 102568246
2-(1-hydroxy-2-methoxycyclohexyl)acetaldehyde
CID 106875208
trans-(1S,2R)-1-(3-hydroxypropyl)-2-methoxycyclohexan-1-ol
CID 98010257
tert-butyl 2-(1-bicyclo[4.1.0]heptanyl)hexanoate
CID 101408439
1-(aminomethyl)-2-methoxy-N-pentyl-N-propan-2-ylcyclohexan-1-amine
CID 106872350

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2-methoxycyclohexyl)hexanoic acid?
The IUPAC name of 2-(1-hydroxy-2-methoxycyclohexyl)hexanoic acid (CID 106874319) is 2-(1-hydroxy-2-methoxycyclohexyl)hexanoic acid.
What is the SMILES notation for 2-(1-hydroxy-2-methoxycyclohexyl)hexanoic acid?
The canonical SMILES for 2-(1-hydroxy-2-methoxycyclohexyl)hexanoic acid is CCCCC(C(=O)O)C1(O)CCCCC1OC.
What is the InChIKey of 2-(1-hydroxy-2-methoxycyclohexyl)hexanoic acid?
The InChIKey is SATHFTKAPJKDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-3-4-7-10(12(14)15)13(16)9-6-5-8-11(13)17-2/h10-11,16H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-(1-hydroxy-2-methoxycyclohexyl)hexanoic acid?
2-(1-hydroxy-2-methoxycyclohexyl)hexanoic acid has a molecular weight of 244.33 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2-methoxycyclohexyl)hexanoic acid is sourced from PubChem (CID 106874319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).