methyl 3-carbonochloridoyloxy-2,2-dimethylcyclopropane-1-carboxylate

C8H11ClO4 — CID 88742944

IUPACmethyl 3-carbonochloridoyloxy-2,2-dimethylcyclopropane-1-carboxylate
SMILESCOC(=O)C1C(OC(=O)Cl)C1(C)C
InChIInChI=1S/C8H11ClO4/c1-8(2)4(6(10)12-3)5(8)13-7(9)11/h4-5H,1-3H3
InChIKeyJRWWGAFWYORSJQ-UHFFFAOYSA-N
MW206.62 g/mol
LogP1.56
Rot. Bonds2

About methyl 3-carbonochloridoyloxy-2,2-dimethylcyclopropane-1-carboxylate

methyl 3-carbonochloridoyloxy-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 88742944) has the molecular formula C8H11ClO4 and a molecular weight of 206.62 g/mol. Its IUPAC name is methyl 3-carbonochloridoyloxy-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-carbonochloridoyloxy-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID88742944
Molecular FormulaC8H11ClO4
Molecular Weight206.62 g/mol
Exact Mass206.03
IUPAC Namemethyl 3-carbonochloridoyloxy-2,2-dimethylcyclopropane-1-carboxylate
SMILESCOC(=O)C1C(OC(=O)Cl)C1(C)C
InChIInChI=1S/C8H11ClO4/c1-8(2)4(6(10)12-3)5(8)13-7(9)11/h4-5H,1-3H3
InChIKeyJRWWGAFWYORSJQ-UHFFFAOYSA-N
XLogP1.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.62
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

trans-methyl (1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 7023133
methyl 3-bromo-2,2-dimethylcyclopropane-1-carboxylate
CID 549186
cis-(1R,3S)-3-methoxycarbonyl-2,2-dimethylcyclopropane-1-carboxylic acid
CID 13041474
cis-methyl (1R,3S)-3-[(E)-2-chloro-2-fluoroethenyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 10932662
trans-methyl (1R,3R)-3-[(1S,2S)-1,2-dihydroxy-2-[(1R,3R)-3-methoxycarbonyl-2,2-dimethylcyclopropyl]ethyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 10957988
trans-methyl (1R,3S)-2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carboxylate
CID 12607838
trans-methyl (1S,3S)-3-(dimethoxymethyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 70262373
2-O-tert-butyl 1-O-methyl 3,3-dimethylcyclopropane-1,2-dicarboxylate
CID 13041622
1-chloro-2,3-bis(methoxycarbonyl)cyclopropane-1-carboxylic acid
CID 139621458
cis-methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 10965156
methyl 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylate
CID 12896709
[(1R,2S,3S)-2-acetyloxy-3-methoxycarbonyl-2-methylcyclopropyl]-chloromercury
CID 15074977

Frequently Asked Questions

What is the IUPAC name of methyl 3-carbonochloridoyloxy-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of methyl 3-carbonochloridoyloxy-2,2-dimethylcyclopropane-1-carboxylate (CID 88742944) is methyl 3-carbonochloridoyloxy-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 3-carbonochloridoyloxy-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 3-carbonochloridoyloxy-2,2-dimethylcyclopropane-1-carboxylate is COC(=O)C1C(OC(=O)Cl)C1(C)C.
What is the InChIKey of methyl 3-carbonochloridoyloxy-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is JRWWGAFWYORSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClO4/c1-8(2)4(6(10)12-3)5(8)13-7(9)11/h4-5H,1-3H3.
What are the key properties of methyl 3-carbonochloridoyloxy-2,2-dimethylcyclopropane-1-carboxylate?
methyl 3-carbonochloridoyloxy-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 206.62 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-carbonochloridoyloxy-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 88742944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).