trans-ethyl (1R,2R)-2-(hydroxymethyl)-1-methylcyclopropane-1-carboxylate

C8H14O3 — CID 10888177

IUPACtrans-ethyl (1R,2R)-2-(hydroxymethyl)-1-methylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@]1(C)C[C@H]1CO
InChIInChI=1S/C8H14O3/c1-3-11-7(10)8(2)4-6(8)5-9/h6,9H,3-5H2,1-2H3/t6-,8+/m0/s1
InChIKeyNPNIDLJZVHSBLF-POYBYMJQSA-N
MW158.20 g/mol
LogP0.57
Rot. Bonds3

About trans-ethyl (1R,2R)-2-(hydroxymethyl)-1-methylcyclopropane-1-carboxylate

trans-ethyl (1R,2R)-2-(hydroxymethyl)-1-methylcyclopropane-1-carboxylate (PubChem CID 10888177) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is trans-ethyl (1R,2R)-2-(hydroxymethyl)-1-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1R,2R)-2-(hydroxymethyl)-1-methylcyclopropane-1-carboxylate
PubChem CID10888177
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Nametrans-ethyl (1R,2R)-2-(hydroxymethyl)-1-methylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@]1(C)C[C@H]1CO
InChIInChI=1S/C8H14O3/c1-3-11-7(10)8(2)4-6(8)5-9/h6,9H,3-5H2,1-2H3/t6-,8+/m0/s1
InChIKeyNPNIDLJZVHSBLF-POYBYMJQSA-N
XLogP0.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1R,2R)-2-(hydroxymethyl)-1-methylcyclopropane-1-carboxylate?
The IUPAC name of trans-ethyl (1R,2R)-2-(hydroxymethyl)-1-methylcyclopropane-1-carboxylate (CID 10888177) is trans-ethyl (1R,2R)-2-(hydroxymethyl)-1-methylcyclopropane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1R,2R)-2-(hydroxymethyl)-1-methylcyclopropane-1-carboxylate?
The canonical SMILES for trans-ethyl (1R,2R)-2-(hydroxymethyl)-1-methylcyclopropane-1-carboxylate is CCOC(=O)[C@]1(C)C[C@H]1CO.
What is the InChIKey of trans-ethyl (1R,2R)-2-(hydroxymethyl)-1-methylcyclopropane-1-carboxylate?
The InChIKey is NPNIDLJZVHSBLF-POYBYMJQSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-11-7(10)8(2)4-6(8)5-9/h6,9H,3-5H2,1-2H3/t6-,8+/m0/s1.
What are the key properties of trans-ethyl (1R,2R)-2-(hydroxymethyl)-1-methylcyclopropane-1-carboxylate?
trans-ethyl (1R,2R)-2-(hydroxymethyl)-1-methylcyclopropane-1-carboxylate has a molecular weight of 158.20 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1R,2R)-2-(hydroxymethyl)-1-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 10888177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).