cis-ethyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate

C9H16O3 — CID 10607292

IUPACcis-ethyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CC[C@H](CO)C1
InChIInChI=1S/C9H16O3/c1-2-12-9(11)8-4-3-7(5-8)6-10/h7-8,10H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyQHEFLHDBTFEMRZ-JGVFFNPUSA-N
MW172.22 g/mol
LogP0.96
Rot. Bonds3

About cis-ethyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate

cis-ethyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate (PubChem CID 10607292) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is cis-ethyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate
PubChem CID10607292
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Namecis-ethyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CC[C@H](CO)C1
InChIInChI=1S/C9H16O3/c1-2-12-9(11)8-4-3-7(5-8)6-10/h7-8,10H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyQHEFLHDBTFEMRZ-JGVFFNPUSA-N
XLogP0.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
ethyl 3-hexylcyclopentane-1-carboxylate
CID 118356628
trans-tert-butyl (1R,3R)-3-(hydroxymethyl)cyclopentane-1-carboxylate
CID 129405365
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
trans-ethyl (1S,3S)-3-ethoxycyclopentane-1-carboxylate
CID 125113083
ethyl 3,4-dihydroxycyclohexane-1-carboxylate
CID 134861534
trans-ethyl (1R,3R)-3-ethoxycyclopentane-1-carboxylate
CID 125113084
ethyl 4-(methylaminomethyl)cyclohexane-1-carboxylate
CID 20757661
cis-ethyl (1R,3S)-3-formylcyclopentane-1-carboxylate
CID 10583280
ethyl 4-chlorocyclohexane-1-carboxylate
CID 44558677
ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 126501888
ethyl 4-(2-aminoethyl)cyclohexane-1-carboxylate;hydrochloride
CID 170913628

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate (CID 10607292) is cis-ethyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate is CCOC(=O)[C@@H]1CC[C@H](CO)C1.
What is the InChIKey of cis-ethyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate?
The InChIKey is QHEFLHDBTFEMRZ-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H16O3/c1-2-12-9(11)8-4-3-7(5-8)6-10/h7-8,10H,2-6H2,1H3/t7-,8+/m0/s1.
What are the key properties of cis-ethyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate?
cis-ethyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate has a molecular weight of 172.22 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 10607292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).