tert-butyl (1R)-2,2-dichlorocyclopropane-1-carboxylate

C8H12Cl2O2 — CID 7003899

IUPACtert-butyl (1R)-2,2-dichlorocyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CC1(Cl)Cl
InChIInChI=1S/C8H12Cl2O2/c1-7(2,3)12-6(11)5-4-8(5,9)10/h5H,4H2,1-3H3/t5-/m1/s1
InChIKeyLJLQISYXQQRLDM-RXMQYKEDSA-N
MW211.09 g/mol
LogP2.52
Rot. Bonds1

About tert-butyl (1R)-2,2-dichlorocyclopropane-1-carboxylate

tert-butyl (1R)-2,2-dichlorocyclopropane-1-carboxylate (PubChem CID 7003899) has the molecular formula C8H12Cl2O2 and a molecular weight of 211.09 g/mol. Its IUPAC name is tert-butyl (1R)-2,2-dichlorocyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (1R)-2,2-dichlorocyclopropane-1-carboxylate
PubChem CID7003899
Molecular FormulaC8H12Cl2O2
Molecular Weight211.09 g/mol
Exact Mass210.02
IUPAC Nametert-butyl (1R)-2,2-dichlorocyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CC1(Cl)Cl
InChIInChI=1S/C8H12Cl2O2/c1-7(2,3)12-6(11)5-4-8(5,9)10/h5H,4H2,1-3H3/t5-/m1/s1
InChIKeyLJLQISYXQQRLDM-RXMQYKEDSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.09
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ditert-butyl 1-chlorocyclopropane-1,2-dicarboxylate
CID 23158970
tert-butyl 2-acetyl-2-methylcyclopropane-1-carboxylate
CID 59593712
cis-tert-butyl (1S,3R)-2,2-dichloro-3-methylcyclopropane-1-carboxylate
CID 102246878
trans-(1R,2S)-1-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid
CID 102458747
tert-butyl 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylate
CID 2780298
tert-butyl spiro[4.5]decane-4-carboxylate
CID 66658048
tert-butyl cyclopropanecarboxylate
CID 157212632
cis-tert-butyl (1S,3S)-2,2-dichloro-3-methyl-1-methylsulfanylcyclopropane-1-carboxylate
CID 117063224
tert-butyl 2-amino-2-(tert-butylcarbamoyloxy)cyclopropane-1-carboxylate
CID 174616209
6-ethyl-7-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2.5]octane-6-carboxylic acid
CID 67007096
tetratert-butyl bicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate
CID 11431939
tert-butyl 2-(2,2-dimethylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate
CID 170755384

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1R)-2,2-dichlorocyclopropane-1-carboxylate?
The IUPAC name of tert-butyl (1R)-2,2-dichlorocyclopropane-1-carboxylate (CID 7003899) is tert-butyl (1R)-2,2-dichlorocyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl (1R)-2,2-dichlorocyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl (1R)-2,2-dichlorocyclopropane-1-carboxylate is CC(C)(C)OC(=O)[C@H]1CC1(Cl)Cl.
What is the InChIKey of tert-butyl (1R)-2,2-dichlorocyclopropane-1-carboxylate?
The InChIKey is LJLQISYXQQRLDM-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H12Cl2O2/c1-7(2,3)12-6(11)5-4-8(5,9)10/h5H,4H2,1-3H3/t5-/m1/s1.
What are the key properties of tert-butyl (1R)-2,2-dichlorocyclopropane-1-carboxylate?
tert-butyl (1R)-2,2-dichlorocyclopropane-1-carboxylate has a molecular weight of 211.09 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1R)-2,2-dichlorocyclopropane-1-carboxylate is sourced from PubChem (CID 7003899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).