4-[(1-hydroxycyclopentyl)methyl]oxane-4-carboxylic acid

C12H20O4 — CID 79425395

IUPAC4-[(1-hydroxycyclopentyl)methyl]oxane-4-carboxylic acid
SMILESO=C(O)C1(CC2(O)CCCC2)CCOCC1
InChIInChI=1S/C12H20O4/c13-10(14)11(5-7-16-8-6-11)9-12(15)3-1-2-4-12/h15H,1-9H2,(H,13,14)
InChIKeyZWVLUFUKEDYOGT-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.56
Rot. Bonds3

About 4-[(1-hydroxycyclopentyl)methyl]oxane-4-carboxylic acid

4-[(1-hydroxycyclopentyl)methyl]oxane-4-carboxylic acid (PubChem CID 79425395) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-[(1-hydroxycyclopentyl)methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(1-hydroxycyclopentyl)methyl]oxane-4-carboxylic acid
PubChem CID79425395
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name4-[(1-hydroxycyclopentyl)methyl]oxane-4-carboxylic acid
SMILESO=C(O)C1(CC2(O)CCCC2)CCOCC1
InChIInChI=1S/C12H20O4/c13-10(14)11(5-7-16-8-6-11)9-12(15)3-1-2-4-12/h15H,1-9H2,(H,13,14)
InChIKeyZWVLUFUKEDYOGT-UHFFFAOYSA-N
XLogP1.56
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-hydroxycyclopentyl)methyl]cyclobutane-1-carboxylic acid
CID 79424868
1-[(1-hydroxycyclohexyl)methyl]cyclobutane-1-carboxylic acid
CID 79426153
1-[(1-hydroxycyclopentyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid
CID 79429318
1-[(1-carboxycyclopentyl)methyl]cyclopentane-1-carboxylic acid
CID 19091044
4-(fluoromethyl)oxane-4-carboxylic acid
CID 83815747
4-tert-butyl-1-[(1-hydroxycyclopentyl)methyl]cyclohexane-1-carboxylic acid
CID 79426221
4-(2-fluoroethyl)oxane-4-carboxylic acid
CID 80695924
4-butyl-1-[(1-hydroxycyclopentyl)methyl]cyclohexane-1-carboxylic acid
CID 79424914
4-(2-azaspiro[3.5]nonan-2-ylmethyl)oxane-4-carboxylic acid
CID 113310310
4-[[(1-aminocyclohexanecarbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115439913
4-(azocan-1-ylmethyl)oxane-4-carboxylic acid
CID 62392737
4-[(propan-2-ylamino)methyl]oxane-4-carboxylic acid
CID 84670127

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxycyclopentyl)methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[(1-hydroxycyclopentyl)methyl]oxane-4-carboxylic acid (CID 79425395) is 4-[(1-hydroxycyclopentyl)methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(1-hydroxycyclopentyl)methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(1-hydroxycyclopentyl)methyl]oxane-4-carboxylic acid is O=C(O)C1(CC2(O)CCCC2)CCOCC1.
What is the InChIKey of 4-[(1-hydroxycyclopentyl)methyl]oxane-4-carboxylic acid?
The InChIKey is ZWVLUFUKEDYOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c13-10(14)11(5-7-16-8-6-11)9-12(15)3-1-2-4-12/h15H,1-9H2,(H,13,14).
What are the key properties of 4-[(1-hydroxycyclopentyl)methyl]oxane-4-carboxylic acid?
4-[(1-hydroxycyclopentyl)methyl]oxane-4-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxycyclopentyl)methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 79425395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).