tert-butyl 1-(hydroxymethyl)cyclopentane-1-carboxylate

C11H20O3 — CID 10013034

IUPACtert-butyl 1-(hydroxymethyl)cyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(CO)CCCC1
InChIInChI=1S/C11H20O3/c1-10(2,3)14-9(13)11(8-12)6-4-5-7-11/h12H,4-8H2,1-3H3
InChIKeyWERJMFAMAFYNBN-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.88
Rot. Bonds2

About tert-butyl 1-(hydroxymethyl)cyclopentane-1-carboxylate

tert-butyl 1-(hydroxymethyl)cyclopentane-1-carboxylate (PubChem CID 10013034) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl 1-(hydroxymethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(hydroxymethyl)cyclopentane-1-carboxylate
PubChem CID10013034
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nametert-butyl 1-(hydroxymethyl)cyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(CO)CCCC1
InChIInChI=1S/C11H20O3/c1-10(2,3)14-9(13)11(8-12)6-4-5-7-11/h12H,4-8H2,1-3H3
InChIKeyWERJMFAMAFYNBN-UHFFFAOYSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(hydroxymethyl)cyclopentane-1-carboxylate?
The IUPAC name of tert-butyl 1-(hydroxymethyl)cyclopentane-1-carboxylate (CID 10013034) is tert-butyl 1-(hydroxymethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for tert-butyl 1-(hydroxymethyl)cyclopentane-1-carboxylate?
The canonical SMILES for tert-butyl 1-(hydroxymethyl)cyclopentane-1-carboxylate is CC(C)(C)OC(=O)C1(CO)CCCC1.
What is the InChIKey of tert-butyl 1-(hydroxymethyl)cyclopentane-1-carboxylate?
The InChIKey is WERJMFAMAFYNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-10(2,3)14-9(13)11(8-12)6-4-5-7-11/h12H,4-8H2,1-3H3.
What are the key properties of tert-butyl 1-(hydroxymethyl)cyclopentane-1-carboxylate?
tert-butyl 1-(hydroxymethyl)cyclopentane-1-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(hydroxymethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 10013034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).