ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate

C8H14O2 — CID 11378554

IUPACethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CC1(C)C
InChIInChI=1S/C8H14O2/c1-4-10-7(9)6-5-8(6,2)3/h6H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyOMQDMPAJKBUQSL-LURJTMIESA-N
MW142.20 g/mol
LogP1.60
Rot. Bonds2

About ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate

ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 11378554) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID11378554
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Nameethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CC1(C)C
InChIInChI=1S/C8H14O2/c1-4-10-7(9)6-5-8(6,2)3/h6H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyOMQDMPAJKBUQSL-LURJTMIESA-N
XLogP1.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-amino-2-methylcyclopropane-1-carboxylate
CID 70501712
butyl 2,2-dimethylcyclopropane-1-carboxylate
CID 12505854
ethyl 4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate
CID 118383562
propanoyl 2,2-dimethylcyclopropane-1-carboxylate
CID 174706264
ethyl 2-bromo-2-fluorocyclopropane-1-carboxylate
CID 22371314
cis-ethyl (1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate;hydrochloride
CID 118383556
ethyl 5,5,7,7-tetramethylspiro[2.5]octane-2-carboxylate
CID 67102506
ethyl (1S)-2,2-dicarbonochloridoylcyclopropane-1-carboxylate
CID 129386310
ethyl 2-chloro-2-formylcyclopropane-1-carboxylate
CID 130035467
cis-ethyl (1S,2S)-2-hexyl-2-methylcyclopropane-1-carboxylate
CID 102020755
ethyl spiro[bicyclo[3.2.0]heptane-6,2'-cyclopropane]-1'-carboxylate
CID 67102350
ethyl 2,2-difluorocyclobutane-1-carboxylate
CID 130638255

Frequently Asked Questions

What is the IUPAC name of ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate (CID 11378554) is ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate is CCOC(=O)[C@@H]1CC1(C)C.
What is the InChIKey of ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is OMQDMPAJKBUQSL-LURJTMIESA-N. The full InChI is InChI=1S/C8H14O2/c1-4-10-7(9)6-5-8(6,2)3/h6H,4-5H2,1-3H3/t6-/m0/s1.
What are the key properties of ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate?
ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 142.20 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 11378554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).