tert-butyl 2-ethenylcyclopropane-1-carboxylate

C10H16O2 — CID 14140138

IUPACtert-butyl 2-ethenylcyclopropane-1-carboxylate
SMILESC=CC1CC1C(=O)OC(C)(C)C
InChIInChI=1S/C10H16O2/c1-5-7-6-8(7)9(11)12-10(2,3)4/h5,7-8H,1,6H2,2-4H3
InChIKeyOTBHUSKYELMAMV-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.15
Rot. Bonds2

About tert-butyl 2-ethenylcyclopropane-1-carboxylate

tert-butyl 2-ethenylcyclopropane-1-carboxylate (PubChem CID 14140138) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is tert-butyl 2-ethenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-ethenylcyclopropane-1-carboxylate
PubChem CID14140138
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Nametert-butyl 2-ethenylcyclopropane-1-carboxylate
SMILESC=CC1CC1C(=O)OC(C)(C)C
InChIInChI=1S/C10H16O2/c1-5-7-6-8(7)9(11)12-10(2,3)4/h5,7-8H,1,6H2,2-4H3
InChIKeyOTBHUSKYELMAMV-UHFFFAOYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-[(2-methylpropan-2-yl)oxycarbonylamino] (1S,2S)-2-ethenylcyclopropane-1-carboxylate
CID 175137110
tert-butyl carbamate;ethyl 2-ethenylcyclopropane-1-carboxylate
CID 143394150
methyl (1R)-2-ethenylcyclopropane-1-carboxylate
CID 175542907
carbonic acid;methyl 2-ethenylcyclopropane-1-carboxylate
CID 66957945
amino 2-ethenylcyclopropane-1-carboxylate
CID 18621557
tert-butyl 2-formylcyclobutane-1-carboxylate
CID 165438429
tert-butyl 2-(methylamino)cyclopropane-1-carboxylate
CID 156544485
ditert-butyl (1R,3S,4S,6R)-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
CID 10924504
cis-(1R,4S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
CID 118566012
tritert-butyl cyclohexane-1,2,4-tricarboxylate
CID 23444068
tert-butyl 2-ethylcyclopropane-1-carboxylate
CID 58558860
tert-butyl (4S,5R)-4-ethenyl-5-(oxiran-2-yl)pyrrolidine-2-carboxylate
CID 57059917

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-ethenylcyclopropane-1-carboxylate?
The IUPAC name of tert-butyl 2-ethenylcyclopropane-1-carboxylate (CID 14140138) is tert-butyl 2-ethenylcyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl 2-ethenylcyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl 2-ethenylcyclopropane-1-carboxylate is C=CC1CC1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-ethenylcyclopropane-1-carboxylate?
The InChIKey is OTBHUSKYELMAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-7-6-8(7)9(11)12-10(2,3)4/h5,7-8H,1,6H2,2-4H3.
What are the key properties of tert-butyl 2-ethenylcyclopropane-1-carboxylate?
tert-butyl 2-ethenylcyclopropane-1-carboxylate has a molecular weight of 168.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-ethenylcyclopropane-1-carboxylate is sourced from PubChem (CID 14140138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).