tert-butyl cyclopropanecarboxylate;ethane;1-methylimidazole

C14H26N2O2 — CID 162764253

IUPACtert-butyl cyclopropanecarboxylate;ethane;1-methylimidazole
SMILESCC.CC(C)(C)OC(=O)C1CC1.Cn1ccnc1
InChIInChI=1S/C8H14O2.C4H6N2.C2H6/c1-8(2,3)10-7(9)6-4-5-6;1-6-3-2-5-4-6;1-2/h6H,4-5H2,1-3H3;2-4H,1H3;1-2H3
InChIKeyLGDHJQLAVAJHHW-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.18
Rot. Bonds1

About tert-butyl cyclopropanecarboxylate;ethane;1-methylimidazole

tert-butyl cyclopropanecarboxylate;ethane;1-methylimidazole (PubChem CID 162764253) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl cyclopropanecarboxylate;ethane;1-methylimidazole.

Molecular Properties

Compound Nametert-butyl cyclopropanecarboxylate;ethane;1-methylimidazole
PubChem CID162764253
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl cyclopropanecarboxylate;ethane;1-methylimidazole
SMILESCC.CC(C)(C)OC(=O)C1CC1.Cn1ccnc1
InChIInChI=1S/C8H14O2.C4H6N2.C2H6/c1-8(2,3)10-7(9)6-4-5-6;1-6-3-2-5-4-6;1-2/h6H,4-5H2,1-3H3;2-4H,1H3;1-2H3
InChIKeyLGDHJQLAVAJHHW-UHFFFAOYSA-N
XLogP3.18
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl cyclopropanecarboxylate;oxane
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tert-butyl cyclododecanecarboxylate
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tert-butyl 4-methoxycyclohexane-1-carboxylate
CID 59780016
tert-butyl (1S)-3,4-dimethylcyclohexane-1-carboxylate
CID 118389091
tert-butyl 1-methylpiperidine-4-carboxylate;carbon dioxide
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hydron;1-methylimidazole
CID 67251829
tert-butyl 5-formamido-6-methoxy-1,3-dihydroisoindole-2-carboxylate;ethane;1-methylimidazole
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Frequently Asked Questions

What is the IUPAC name of tert-butyl cyclopropanecarboxylate;ethane;1-methylimidazole?
The IUPAC name of tert-butyl cyclopropanecarboxylate;ethane;1-methylimidazole (CID 162764253) is tert-butyl cyclopropanecarboxylate;ethane;1-methylimidazole.
What is the SMILES notation for tert-butyl cyclopropanecarboxylate;ethane;1-methylimidazole?
The canonical SMILES for tert-butyl cyclopropanecarboxylate;ethane;1-methylimidazole is CC.CC(C)(C)OC(=O)C1CC1.Cn1ccnc1.
What is the InChIKey of tert-butyl cyclopropanecarboxylate;ethane;1-methylimidazole?
The InChIKey is LGDHJQLAVAJHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C4H6N2.C2H6/c1-8(2,3)10-7(9)6-4-5-6;1-6-3-2-5-4-6;1-2/h6H,4-5H2,1-3H3;2-4H,1H3;1-2H3.
What are the key properties of tert-butyl cyclopropanecarboxylate;ethane;1-methylimidazole?
tert-butyl cyclopropanecarboxylate;ethane;1-methylimidazole has a molecular weight of 254.37 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl cyclopropanecarboxylate;ethane;1-methylimidazole is sourced from PubChem (CID 162764253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).