trans-ethyl (1R,2R)-2-(1-hydroxybut-3-enyl)cyclopropane-1-carboxylate

C10H16O3 — CID 156742947

IUPACtrans-ethyl (1R,2R)-2-(1-hydroxybut-3-enyl)cyclopropane-1-carboxylate
SMILESC=CCC(O)[C@@H]1C[C@H]1C(=O)OCC
InChIInChI=1S/C10H16O3/c1-3-5-9(11)7-6-8(7)10(12)13-4-2/h3,7-9,11H,1,4-6H2,2H3/t7-,8-,9?/m1/s1
InChIKeyLZRGPAVSDRGZIO-ZAZKALAHSA-N
MW184.23 g/mol
LogP1.12
Rot. Bonds5

About trans-ethyl (1R,2R)-2-(1-hydroxybut-3-enyl)cyclopropane-1-carboxylate

trans-ethyl (1R,2R)-2-(1-hydroxybut-3-enyl)cyclopropane-1-carboxylate (PubChem CID 156742947) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is trans-ethyl (1R,2R)-2-(1-hydroxybut-3-enyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1R,2R)-2-(1-hydroxybut-3-enyl)cyclopropane-1-carboxylate
PubChem CID156742947
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Nametrans-ethyl (1R,2R)-2-(1-hydroxybut-3-enyl)cyclopropane-1-carboxylate
SMILESC=CCC(O)[C@@H]1C[C@H]1C(=O)OCC
InChIInChI=1S/C10H16O3/c1-3-5-9(11)7-6-8(7)10(12)13-4-2/h3,7-9,11H,1,4-6H2,2H3/t7-,8-,9?/m1/s1
InChIKeyLZRGPAVSDRGZIO-ZAZKALAHSA-N
XLogP1.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1R,2R)-2-(1-hydroxybut-3-enyl)cyclopropane-1-carboxylate?
The IUPAC name of trans-ethyl (1R,2R)-2-(1-hydroxybut-3-enyl)cyclopropane-1-carboxylate (CID 156742947) is trans-ethyl (1R,2R)-2-(1-hydroxybut-3-enyl)cyclopropane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1R,2R)-2-(1-hydroxybut-3-enyl)cyclopropane-1-carboxylate?
The canonical SMILES for trans-ethyl (1R,2R)-2-(1-hydroxybut-3-enyl)cyclopropane-1-carboxylate is C=CCC(O)[C@@H]1C[C@H]1C(=O)OCC.
What is the InChIKey of trans-ethyl (1R,2R)-2-(1-hydroxybut-3-enyl)cyclopropane-1-carboxylate?
The InChIKey is LZRGPAVSDRGZIO-ZAZKALAHSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-5-9(11)7-6-8(7)10(12)13-4-2/h3,7-9,11H,1,4-6H2,2H3/t7-,8-,9?/m1/s1.
What are the key properties of trans-ethyl (1R,2R)-2-(1-hydroxybut-3-enyl)cyclopropane-1-carboxylate?
trans-ethyl (1R,2R)-2-(1-hydroxybut-3-enyl)cyclopropane-1-carboxylate has a molecular weight of 184.23 g/mol, XLogP of 1.12, 5 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-(1-hydroxybut-3-enyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 156742947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).