tert-butyl 3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylate

C11H20O3 — CID 23073800

IUPACtert-butyl 3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1C(CO)C1(C)C
InChIInChI=1S/C11H20O3/c1-10(2,3)14-9(13)8-7(6-12)11(8,4)5/h7-8,12H,6H2,1-5H3
InChIKeyCPHMZESOAKLUSG-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.59
Rot. Bonds2

About tert-butyl 3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylate

tert-butyl 3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 23073800) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl 3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID23073800
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nametert-butyl 3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1C(CO)C1(C)C
InChIInChI=1S/C11H20O3/c1-10(2,3)14-9(13)8-7(6-12)11(8,4)5/h7-8,12H,6H2,1-5H3
InChIKeyCPHMZESOAKLUSG-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of tert-butyl 3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylate (CID 23073800) is tert-butyl 3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl 3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylate is CC(C)(C)OC(=O)C1C(CO)C1(C)C.
What is the InChIKey of tert-butyl 3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is CPHMZESOAKLUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-10(2,3)14-9(13)8-7(6-12)11(8,4)5/h7-8,12H,6H2,1-5H3.
What are the key properties of tert-butyl 3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylate?
tert-butyl 3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 23073800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).