methyl 2-(1-hydroxyethyl)cyclopentane-1-carboxylate

C9H16O3 — CID 89342886

IUPACmethyl 2-(1-hydroxyethyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1C(C)O
InChIInChI=1S/C9H16O3/c1-6(10)7-4-3-5-8(7)9(11)12-2/h6-8,10H,3-5H2,1-2H3
InChIKeyCHJKFYSULPXZAN-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.96
Rot. Bonds2

About methyl 2-(1-hydroxyethyl)cyclopentane-1-carboxylate

methyl 2-(1-hydroxyethyl)cyclopentane-1-carboxylate (PubChem CID 89342886) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is methyl 2-(1-hydroxyethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-hydroxyethyl)cyclopentane-1-carboxylate
PubChem CID89342886
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Namemethyl 2-(1-hydroxyethyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1C(C)O
InChIInChI=1S/C9H16O3/c1-6(10)7-4-3-5-8(7)9(11)12-2/h6-8,10H,3-5H2,1-2H3
InChIKeyCHJKFYSULPXZAN-UHFFFAOYSA-N
XLogP0.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

cis-methyl (1S,2S)-2-propan-2-ylcyclobutane-1-carboxylate
CID 59802095
trans-dimethyl (1S,3S)-2-hydroxycyclohexane-1,3-dicarboxylate
CID 6932414
trans-methyl (1R,2R)-2-acetylcyclopentane-1-carboxylate
CID 131114083
methyl 2-methylcyclopentane-1-carboxylate
CID 13435361
methyl 2-bromocyclopentane-1-carboxylate
CID 165357827
methyl (1S)-2-methoxycyclopentane-1-carboxylate
CID 59162842
methyl 2-(2-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 86175836
methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342116
methyl 2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate
CID 106835677
(1S,2S,4R,5S)-4,5-dihydroxy-2-methoxycarbonylcyclohexane-1-carboxylic acid
CID 10856936
ethyl (2S)-2-propan-2-ylcyclopentane-1-carboxylate
CID 89296898
methyl 2-hydroxycyclohept-3-ene-1-carboxylate
CID 57434799

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-hydroxyethyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-(1-hydroxyethyl)cyclopentane-1-carboxylate (CID 89342886) is methyl 2-(1-hydroxyethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-(1-hydroxyethyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-(1-hydroxyethyl)cyclopentane-1-carboxylate is COC(=O)C1CCCC1C(C)O.
What is the InChIKey of methyl 2-(1-hydroxyethyl)cyclopentane-1-carboxylate?
The InChIKey is CHJKFYSULPXZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-6(10)7-4-3-5-8(7)9(11)12-2/h6-8,10H,3-5H2,1-2H3.
What are the key properties of methyl 2-(1-hydroxyethyl)cyclopentane-1-carboxylate?
methyl 2-(1-hydroxyethyl)cyclopentane-1-carboxylate has a molecular weight of 172.22 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-hydroxyethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 89342886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).