cis-tert-butyl (1R,2S)-2-ethenylcyclopropane-1-carboxylate

C10H16O2 — CID 129405739

IUPACcis-tert-butyl (1R,2S)-2-ethenylcyclopropane-1-carboxylate
SMILESC=C[C@@H]1C[C@H]1C(=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/t7-,8-/m1/s1
InChIKeyOTBHUSKYELMAMV-HTQZYQBOSA-N
MW168.24 g/mol
LogP2.15
Rot. Bonds2

About cis-tert-butyl (1R,2S)-2-ethenylcyclopropane-1-carboxylate

cis-tert-butyl (1R,2S)-2-ethenylcyclopropane-1-carboxylate (PubChem CID 129405739) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is cis-tert-butyl (1R,2S)-2-ethenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-tert-butyl (1R,2S)-2-ethenylcyclopropane-1-carboxylate
PubChem CID129405739
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namecis-tert-butyl (1R,2S)-2-ethenylcyclopropane-1-carboxylate
SMILESC=C[C@@H]1C[C@H]1C(=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/t7-,8-/m1/s1
InChIKeyOTBHUSKYELMAMV-HTQZYQBOSA-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

tert-Butyl 3-methylidenecyclobutane-1-carboxylate
CID 14434460
[(2S)-hex-5-en-2-yl] (4S)-4-methylhex-5-enoate
CID 162414519
[(3S)-3-methylhex-5-en-2-yl] hex-5-enoate
CID 162414695
5-Hexenoic acid, 3-methyl-, ethyl ester
CID 10866583
tert-Butyl 2-ethenylcyclopropane-1-carboxylate
CID 14140138
t-Butyl 6-heptenoate
CID 14468079
Tert-butyl hex-5-enoate
CID 15047738
Tert-butyl 5-fluoro-3-prop-2-enylhex-5-enoate
CID 57723674
Cyclopropanecarboxylic acid, 1-(2-propenyl)-, 1,1-dimethylethyl ester
CID 546367
Methyl 2-ethenylcyclopropane-1-carboxylate
CID 548843
Methyl (1R,2R)-2-vinylcyclopropane-1-carboxylate
CID 11018870
Tert-butyl 3-methylpent-4-enoate
CID 77230611

Frequently Asked Questions

What is the IUPAC name of cis-tert-butyl (1R,2S)-2-ethenylcyclopropane-1-carboxylate?
The IUPAC name of cis-tert-butyl (1R,2S)-2-ethenylcyclopropane-1-carboxylate (CID 129405739) is cis-tert-butyl (1R,2S)-2-ethenylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-tert-butyl (1R,2S)-2-ethenylcyclopropane-1-carboxylate?
The canonical SMILES for cis-tert-butyl (1R,2S)-2-ethenylcyclopropane-1-carboxylate is C=C[C@@H]1C[C@H]1C(=O)OC(C)(C)C.
What is the InChIKey of cis-tert-butyl (1R,2S)-2-ethenylcyclopropane-1-carboxylate?
The InChIKey is OTBHUSKYELMAMV-HTQZYQBOSA-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/t7-,8-/m1/s1.
What are the key properties of cis-tert-butyl (1R,2S)-2-ethenylcyclopropane-1-carboxylate?
cis-tert-butyl (1R,2S)-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 cis-tert-butyl (1R,2S)-2-ethenylcyclopropane-1-carboxylate is sourced from PubChem (CID 129405739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).