ethyl 2-(1-hydroxy-3-methylbutyl)cyclopentane-1-carboxylate

C13H24O3 — CID 91329381

IUPACethyl 2-(1-hydroxy-3-methylbutyl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCCC1C(O)CC(C)C
InChIInChI=1S/C13H24O3/c1-4-16-13(15)11-7-5-6-10(11)12(14)8-9(2)3/h9-12,14H,4-8H2,1-3H3
InChIKeyXDSRHTRXXDUYHE-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.37
Rot. Bonds5

About ethyl 2-(1-hydroxy-3-methylbutyl)cyclopentane-1-carboxylate

ethyl 2-(1-hydroxy-3-methylbutyl)cyclopentane-1-carboxylate (PubChem CID 91329381) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is ethyl 2-(1-hydroxy-3-methylbutyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-hydroxy-3-methylbutyl)cyclopentane-1-carboxylate
PubChem CID91329381
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Nameethyl 2-(1-hydroxy-3-methylbutyl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCCC1C(O)CC(C)C
InChIInChI=1S/C13H24O3/c1-4-16-13(15)11-7-5-6-10(11)12(14)8-9(2)3/h9-12,14H,4-8H2,1-3H3
InChIKeyXDSRHTRXXDUYHE-UHFFFAOYSA-N
XLogP2.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-propan-2-ylcyclopentane-1-carboxylate
CID 89296898
ethyl (2S)-2-propan-2-ylcyclohexane-1-carboxylate
CID 58682733
ethyl (2S)-2-hydroxycyclopentane-1-carboxylate
CID 130360742
cis-ethyl (1R,2R)-2-ethylcyclopentane-1-carboxylate
CID 101471525
trans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate
CID 1268212
ethyl 2-methylcyclopentane-1-carboxylate
CID 10844634
ethyl 2-amino-3-hydroxycyclohexane-1-carboxylate
CID 22258605
cis-ethyl (1S,2R)-2-(3-methylbutylamino)cyclopentane-1-carboxylate
CID 69059648
ethyl 2-aminocyclopentane-1-carboxylate;hydrochloride
CID 22258377
ethyl 2-iodocyclohexane-1-carboxylate
CID 153229288
ethyl 2-propan-2-ylpiperidine-3-carboxylate
CID 83855212
trans-ethyl (1S,2S)-2-methylcyclohexane-1-carboxylate
CID 28766550

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-hydroxy-3-methylbutyl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 2-(1-hydroxy-3-methylbutyl)cyclopentane-1-carboxylate (CID 91329381) is ethyl 2-(1-hydroxy-3-methylbutyl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 2-(1-hydroxy-3-methylbutyl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 2-(1-hydroxy-3-methylbutyl)cyclopentane-1-carboxylate is CCOC(=O)C1CCCC1C(O)CC(C)C.
What is the InChIKey of ethyl 2-(1-hydroxy-3-methylbutyl)cyclopentane-1-carboxylate?
The InChIKey is XDSRHTRXXDUYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-4-16-13(15)11-7-5-6-10(11)12(14)8-9(2)3/h9-12,14H,4-8H2,1-3H3.
What are the key properties of ethyl 2-(1-hydroxy-3-methylbutyl)cyclopentane-1-carboxylate?
ethyl 2-(1-hydroxy-3-methylbutyl)cyclopentane-1-carboxylate has a molecular weight of 228.33 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-hydroxy-3-methylbutyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 91329381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).