cyclopentanol;cyclopentyl 2-hydroxyacetate;2-hydroxyacetic acid

C14H26O7 — CID 158703684

IUPACcyclopentanol;cyclopentyl 2-hydroxyacetate;2-hydroxyacetic acid
SMILESO=C(CO)OC1CCCC1.O=C(O)CO.OC1CCCC1
InChIInChI=1S/C7H12O3.C5H10O.C2H4O3/c8-5-7(9)10-6-3-1-2-4-6;6-5-3-1-2-4-5;3-1-2(4)5/h6,8H,1-5H2;5-6H,1-4H2;3H,1H2,(H,4,5)
InChIKeyIHVWYPUCEWXEAT-UHFFFAOYSA-N
MW306.36 g/mol
LogP0.45
Rot. Bonds3

About cyclopentanol;cyclopentyl 2-hydroxyacetate;2-hydroxyacetic acid

cyclopentanol;cyclopentyl 2-hydroxyacetate;2-hydroxyacetic acid (PubChem CID 158703684) has the molecular formula C14H26O7 and a molecular weight of 306.36 g/mol. Its IUPAC name is cyclopentanol;cyclopentyl 2-hydroxyacetate;2-hydroxyacetic acid.

Molecular Properties

Compound Namecyclopentanol;cyclopentyl 2-hydroxyacetate;2-hydroxyacetic acid
PubChem CID158703684
Molecular FormulaC14H26O7
Molecular Weight306.36 g/mol
Exact Mass306.17
IUPAC Namecyclopentanol;cyclopentyl 2-hydroxyacetate;2-hydroxyacetic acid
SMILESO=C(CO)OC1CCCC1.O=C(O)CO.OC1CCCC1
InChIInChI=1S/C7H12O3.C5H10O.C2H4O3/c8-5-7(9)10-6-3-1-2-4-6;6-5-3-1-2-4-5;3-1-2(4)5/h6,8H,1-5H2;5-6H,1-4H2;3H,1H2,(H,4,5)
InChIKeyIHVWYPUCEWXEAT-UHFFFAOYSA-N
XLogP0.45
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

butane;3-cyclohexyloxy-3-oxopropanoic acid
CID 70481739
6-cyclohexyloxy-6-oxohexanoic acid
CID 175099277
(4,4-dimethylcyclohexyl) 2-hydroxyacetate
CID 131154209
9-(4-hydroxycyclohexyl)oxy-9-oxononanoic acid
CID 91478968
dicyclohexyl pentanedioate
CID 15593941
cyclopentyl 2-cyclopentyloxyacetate
CID 118599673
cyclopentyl 4-hydroxy-3-(hydroxymethyl)butanoate
CID 156726795
lithium;2-(2-cyclohexyloxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride
CID 175408310
cyclohexyl propanoate;dihydrochloride
CID 172803130
cyclohexyl 2-aminoacetate;hydrochloride
CID 14180607
cyclohexyl 2-[(2-cyclohexyloxy-2-oxoethyl)disulfanyl]acetate
CID 154117356
cycloheptyl hydrogen carbonate
CID 23179405

Frequently Asked Questions

What is the IUPAC name of cyclopentanol;cyclopentyl 2-hydroxyacetate;2-hydroxyacetic acid?
The IUPAC name of cyclopentanol;cyclopentyl 2-hydroxyacetate;2-hydroxyacetic acid (CID 158703684) is cyclopentanol;cyclopentyl 2-hydroxyacetate;2-hydroxyacetic acid.
What is the SMILES notation for cyclopentanol;cyclopentyl 2-hydroxyacetate;2-hydroxyacetic acid?
The canonical SMILES for cyclopentanol;cyclopentyl 2-hydroxyacetate;2-hydroxyacetic acid is O=C(CO)OC1CCCC1.O=C(O)CO.OC1CCCC1.
What is the InChIKey of cyclopentanol;cyclopentyl 2-hydroxyacetate;2-hydroxyacetic acid?
The InChIKey is IHVWYPUCEWXEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3.C5H10O.C2H4O3/c8-5-7(9)10-6-3-1-2-4-6;6-5-3-1-2-4-5;3-1-2(4)5/h6,8H,1-5H2;5-6H,1-4H2;3H,1H2,(H,4,5).
What are the key properties of cyclopentanol;cyclopentyl 2-hydroxyacetate;2-hydroxyacetic acid?
cyclopentanol;cyclopentyl 2-hydroxyacetate;2-hydroxyacetic acid has a molecular weight of 306.36 g/mol, XLogP of 0.45, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanol;cyclopentyl 2-hydroxyacetate;2-hydroxyacetic acid is sourced from PubChem (CID 158703684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).