cis-ethyl (1S,2S)-2-hexyl-2-methylcyclopropane-1-carboxylate

C13H24O2 — CID 102020755

IUPACcis-ethyl (1S,2S)-2-hexyl-2-methylcyclopropane-1-carboxylate
SMILESCCCCCC[C@@]1(C)C[C@@H]1C(=O)OCC
InChIInChI=1S/C13H24O2/c1-4-6-7-8-9-13(3)10-11(13)12(14)15-5-2/h11H,4-10H2,1-3H3/t11-,13+/m1/s1
InChIKeyHBPYIWSKNHFHIE-YPMHNXCESA-N
MW212.33 g/mol
LogP3.55
Rot. Bonds7

About cis-ethyl (1S,2S)-2-hexyl-2-methylcyclopropane-1-carboxylate

cis-ethyl (1S,2S)-2-hexyl-2-methylcyclopropane-1-carboxylate (PubChem CID 102020755) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is cis-ethyl (1S,2S)-2-hexyl-2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1S,2S)-2-hexyl-2-methylcyclopropane-1-carboxylate
PubChem CID102020755
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Namecis-ethyl (1S,2S)-2-hexyl-2-methylcyclopropane-1-carboxylate
SMILESCCCCCC[C@@]1(C)C[C@@H]1C(=O)OCC
InChIInChI=1S/C13H24O2/c1-4-6-7-8-9-13(3)10-11(13)12(14)15-5-2/h11H,4-10H2,1-3H3/t11-,13+/m1/s1
InChIKeyHBPYIWSKNHFHIE-YPMHNXCESA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-hexyl-3-methyloxirane-2-carboxylate
CID 14387201
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ethyl 2-amino-2-methylcyclopropane-1-carboxylate
CID 70501712
cis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol
CID 102123339
butyl 2,2-dimethylcyclopropane-1-carboxylate
CID 12505854
4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylic acid
CID 129278711
cis-ethyl (1R,2S)-2-[(E)-oct-1-enyl]-2-phenylcyclopropane-1-carboxylate
CID 102475400
ethyl 2-bromo-2-fluorocyclopropane-1-carboxylate
CID 22371314
ethyl 5,5,7,7-tetramethylspiro[2.5]octane-2-carboxylate
CID 67102506
ethyl (1S)-2,2-dicarbonochloridoylcyclopropane-1-carboxylate
CID 129386310
ethyl 2,3-dihexylcyclopropane-1-carboxylate
CID 101157938
tert-butyl 4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylate
CID 129278282

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1S,2S)-2-hexyl-2-methylcyclopropane-1-carboxylate?
The IUPAC name of cis-ethyl (1S,2S)-2-hexyl-2-methylcyclopropane-1-carboxylate (CID 102020755) is cis-ethyl (1S,2S)-2-hexyl-2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1S,2S)-2-hexyl-2-methylcyclopropane-1-carboxylate?
The canonical SMILES for cis-ethyl (1S,2S)-2-hexyl-2-methylcyclopropane-1-carboxylate is CCCCCC[C@@]1(C)C[C@@H]1C(=O)OCC.
What is the InChIKey of cis-ethyl (1S,2S)-2-hexyl-2-methylcyclopropane-1-carboxylate?
The InChIKey is HBPYIWSKNHFHIE-YPMHNXCESA-N. The full InChI is InChI=1S/C13H24O2/c1-4-6-7-8-9-13(3)10-11(13)12(14)15-5-2/h11H,4-10H2,1-3H3/t11-,13+/m1/s1.
What are the key properties of cis-ethyl (1S,2S)-2-hexyl-2-methylcyclopropane-1-carboxylate?
cis-ethyl (1S,2S)-2-hexyl-2-methylcyclopropane-1-carboxylate has a molecular weight of 212.33 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1S,2S)-2-hexyl-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 102020755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).