tert-butyl 2-(2-hydroxyethyl)cyclopentane-1-carboxylate

C12H22O3 — CID 135011724

IUPACtert-butyl 2-(2-hydroxyethyl)cyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CCCC1CCO
InChIInChI=1S/C12H22O3/c1-12(2,3)15-11(14)10-6-4-5-9(10)7-8-13/h9-10,13H,4-8H2,1-3H3
InChIKeyGUQKECMKJVHHFX-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.13
Rot. Bonds3

About tert-butyl 2-(2-hydroxyethyl)cyclopentane-1-carboxylate

tert-butyl 2-(2-hydroxyethyl)cyclopentane-1-carboxylate (PubChem CID 135011724) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is tert-butyl 2-(2-hydroxyethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-hydroxyethyl)cyclopentane-1-carboxylate
PubChem CID135011724
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Nametert-butyl 2-(2-hydroxyethyl)cyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CCCC1CCO
InChIInChI=1S/C12H22O3/c1-12(2,3)15-11(14)10-6-4-5-9(10)7-8-13/h9-10,13H,4-8H2,1-3H3
InChIKeyGUQKECMKJVHHFX-UHFFFAOYSA-N
XLogP2.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-hydroxyethyl)cyclopentane-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-hydroxyethyl)cyclopentane-1-carboxylate (CID 135011724) is tert-butyl 2-(2-hydroxyethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-hydroxyethyl)cyclopentane-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-hydroxyethyl)cyclopentane-1-carboxylate is CC(C)(C)OC(=O)C1CCCC1CCO.
What is the InChIKey of tert-butyl 2-(2-hydroxyethyl)cyclopentane-1-carboxylate?
The InChIKey is GUQKECMKJVHHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-12(2,3)15-11(14)10-6-4-5-9(10)7-8-13/h9-10,13H,4-8H2,1-3H3.
What are the key properties of tert-butyl 2-(2-hydroxyethyl)cyclopentane-1-carboxylate?
tert-butyl 2-(2-hydroxyethyl)cyclopentane-1-carboxylate has a molecular weight of 214.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-hydroxyethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 135011724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).