cyclopentyl 4-hydroxy-3-(hydroxymethyl)butanoate

C10H18O4 — CID 156726795

IUPACcyclopentyl 4-hydroxy-3-(hydroxymethyl)butanoate
SMILESO=C(CC(CO)CO)OC1CCCC1
InChIInChI=1S/C10H18O4/c11-6-8(7-12)5-10(13)14-9-3-1-2-4-9/h8-9,11-12H,1-7H2
InChIKeyCNJJSNQOPJLLNQ-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.46
Rot. Bonds5

About cyclopentyl 4-hydroxy-3-(hydroxymethyl)butanoate

cyclopentyl 4-hydroxy-3-(hydroxymethyl)butanoate (PubChem CID 156726795) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is cyclopentyl 4-hydroxy-3-(hydroxymethyl)butanoate.

Molecular Properties

Compound Namecyclopentyl 4-hydroxy-3-(hydroxymethyl)butanoate
PubChem CID156726795
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namecyclopentyl 4-hydroxy-3-(hydroxymethyl)butanoate
SMILESO=C(CC(CO)CO)OC1CCCC1
InChIInChI=1S/C10H18O4/c11-6-8(7-12)5-10(13)14-9-3-1-2-4-9/h8-9,11-12H,1-7H2
InChIKeyCNJJSNQOPJLLNQ-UHFFFAOYSA-N
XLogP0.46
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tetracyclohexyl butane-1,2,3,4-tetracarboxylate
CID 91735158
cyclohexyl 3-dodecylheptadecanoate
CID 23148804
dicyclohexyl 2-aminobutanedioate chloride
CID 53312802
cyclohexyl 3-chlorobutanoate
CID 19736706
cyclohexyl 3-cyclohexylbutanoate
CID 129263985
cyclohexyl (3S)-3,4-diamino-4-oxobutanoate
CID 101247028
cyclopentyl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate
CID 167430541
1-O-tert-butyl 4-O-cyclohexyl 2-(hydroxymethyl)butanedioate
CID 175248838
cyclopentyl 2-amino-3-hydroxypropanoate
CID 61279213
dicyclohexyl pentanedioate
CID 15593941
cyclopentyl 2-cyclopentyloxyacetate
CID 118599673
cyclohexyl 4-chloro-3-(2-chloroacetyl)oxybutanoate
CID 139957471

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-hydroxy-3-(hydroxymethyl)butanoate?
The IUPAC name of cyclopentyl 4-hydroxy-3-(hydroxymethyl)butanoate (CID 156726795) is cyclopentyl 4-hydroxy-3-(hydroxymethyl)butanoate.
What is the SMILES notation for cyclopentyl 4-hydroxy-3-(hydroxymethyl)butanoate?
The canonical SMILES for cyclopentyl 4-hydroxy-3-(hydroxymethyl)butanoate is O=C(CC(CO)CO)OC1CCCC1.
What is the InChIKey of cyclopentyl 4-hydroxy-3-(hydroxymethyl)butanoate?
The InChIKey is CNJJSNQOPJLLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c11-6-8(7-12)5-10(13)14-9-3-1-2-4-9/h8-9,11-12H,1-7H2.
What are the key properties of cyclopentyl 4-hydroxy-3-(hydroxymethyl)butanoate?
cyclopentyl 4-hydroxy-3-(hydroxymethyl)butanoate has a molecular weight of 202.25 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-hydroxy-3-(hydroxymethyl)butanoate is sourced from PubChem (CID 156726795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).