tert-butyl 3-(2-hydroxyethyl)cyclobutane-1-carboxylate

C11H20O3 — CID 140895666

IUPACtert-butyl 3-(2-hydroxyethyl)cyclobutane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CC(CCO)C1
InChIInChI=1S/C11H20O3/c1-11(2,3)14-10(13)9-6-8(7-9)4-5-12/h8-9,12H,4-7H2,1-3H3
InChIKeyWKLCFKLSMHQKMT-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.74
Rot. Bonds3

About tert-butyl 3-(2-hydroxyethyl)cyclobutane-1-carboxylate

tert-butyl 3-(2-hydroxyethyl)cyclobutane-1-carboxylate (PubChem CID 140895666) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl 3-(2-hydroxyethyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-hydroxyethyl)cyclobutane-1-carboxylate
PubChem CID140895666
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nametert-butyl 3-(2-hydroxyethyl)cyclobutane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CC(CCO)C1
InChIInChI=1S/C11H20O3/c1-11(2,3)14-10(13)9-6-8(7-9)4-5-12/h8-9,12H,4-7H2,1-3H3
InChIKeyWKLCFKLSMHQKMT-UHFFFAOYSA-N
XLogP1.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-tert-butyl (1R,3R)-3-(hydroxymethyl)cyclopentane-1-carboxylate
CID 129405365
tert-butyl 5-(2-hydroxyethyl)thiolane-3-carboxylate
CID 19096297
cis-tert-butyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate
CID 163289447
tert-butyl 3-(azetidin-3-ylmethyl)cyclobutane-1-carboxylate
CID 176906167
3,5-bis[(2-methylpropan-2-yl)oxycarbonyl]cyclohexane-1-carboxylic acid
CID 23443973
trans-(1R,2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1,2-dicarboxylic acid
CID 168800648
tert-butyl cyclopropanecarboxylate
CID 157212632
tert-butyl (2R,4R)-4-(2-hydroxyethyl)-1-trimethylsilylpyrrolidine-2-carboxylate
CID 141378656
tert-butyl 3-(2-hydroxyethyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 135396485
tert-butyl 3-[3-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexanecarbonyl]cyclohexane-1-carboxylate
CID 139789043
ditert-butyl 5-(tert-butylamino)cyclohexane-1,3-dicarboxylate
CID 171748856
tert-butyl (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate
CID 138393835

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-hydroxyethyl)cyclobutane-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-hydroxyethyl)cyclobutane-1-carboxylate (CID 140895666) is tert-butyl 3-(2-hydroxyethyl)cyclobutane-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-hydroxyethyl)cyclobutane-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-hydroxyethyl)cyclobutane-1-carboxylate is CC(C)(C)OC(=O)C1CC(CCO)C1.
What is the InChIKey of tert-butyl 3-(2-hydroxyethyl)cyclobutane-1-carboxylate?
The InChIKey is WKLCFKLSMHQKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-11(2,3)14-10(13)9-6-8(7-9)4-5-12/h8-9,12H,4-7H2,1-3H3.
What are the key properties of tert-butyl 3-(2-hydroxyethyl)cyclobutane-1-carboxylate?
tert-butyl 3-(2-hydroxyethyl)cyclobutane-1-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-hydroxyethyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 140895666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).