cis-tert-butyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate

C10H18O3 — CID 163289447

IUPACcis-tert-butyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1C[C@@H]1CCO
InChIInChI=1S/C10H18O3/c1-10(2,3)13-9(12)8-6-7(8)4-5-11/h7-8,11H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyNHSJEROMSYTVRU-YUMQZZPRSA-N
MW186.25 g/mol
LogP1.35
Rot. Bonds3

About cis-tert-butyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate

cis-tert-butyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate (PubChem CID 163289447) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is cis-tert-butyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-tert-butyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate
PubChem CID163289447
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namecis-tert-butyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1C[C@@H]1CCO
InChIInChI=1S/C10H18O3/c1-10(2,3)13-9(12)8-6-7(8)4-5-11/h7-8,11H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyNHSJEROMSYTVRU-YUMQZZPRSA-N
XLogP1.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-ethylcyclopropane-1-carboxylate
CID 58558860
tert-butyl 2-(4-chlorobutyl)cyclopropane-1-carboxylate
CID 139889580
cis-tert-butyl (1R,2R)-2-(bromomethyl)cyclopropane-1-carboxylate
CID 155978160
cis-methyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate
CID 96536470
trans-methyl (1R,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate
CID 13005722
tert-butyl 3-(2-hydroxyethyl)cyclobutane-1-carboxylate
CID 140895666
cis-tert-butyl (1S,2S)-2-(3-phenylpropyl)cyclopropane-1-carboxylate
CID 169232126
cis-(1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylic acid
CID 146256670
ditert-butyl (1R,3S,4S,6R)-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
CID 10924504
tert-butyl 5-(2-hydroxyethyl)thiolane-3-carboxylate
CID 19096297
cis-tert-butyl (1S,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 163289434
cis-(1R,4S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
CID 118566012

Frequently Asked Questions

What is the IUPAC name of cis-tert-butyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate?
The IUPAC name of cis-tert-butyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate (CID 163289447) is cis-tert-butyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for cis-tert-butyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate?
The canonical SMILES for cis-tert-butyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate is CC(C)(C)OC(=O)[C@H]1C[C@@H]1CCO.
What is the InChIKey of cis-tert-butyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate?
The InChIKey is NHSJEROMSYTVRU-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H18O3/c1-10(2,3)13-9(12)8-6-7(8)4-5-11/h7-8,11H,4-6H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of cis-tert-butyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate?
cis-tert-butyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate has a molecular weight of 186.25 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-tert-butyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 163289447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).