carbonochloridic acid;2-(1-chloroethenyl)-1,1-dimethylcyclopropane

C8H12Cl2O2 — CID 88740342

IUPACcarbonochloridic acid;2-(1-chloroethenyl)-1,1-dimethylcyclopropane
SMILESC=C(Cl)C1CC1(C)C.O=C(O)Cl
InChIInChI=1S/C7H11Cl.CHClO2/c1-5(8)6-4-7(6,2)3;2-1(3)4/h6H,1,4H2,2-3H3;(H,3,4)
InChIKeyUDNVQYWTGSIKFN-UHFFFAOYSA-N
MW211.09 g/mol
LogP3.69
Rot. Bonds1

About carbonochloridic acid;2-(1-chloroethenyl)-1,1-dimethylcyclopropane

carbonochloridic acid;2-(1-chloroethenyl)-1,1-dimethylcyclopropane (PubChem CID 88740342) has the molecular formula C8H12Cl2O2 and a molecular weight of 211.09 g/mol. Its IUPAC name is carbonochloridic acid;2-(1-chloroethenyl)-1,1-dimethylcyclopropane.

Molecular Properties

Compound Namecarbonochloridic acid;2-(1-chloroethenyl)-1,1-dimethylcyclopropane
PubChem CID88740342
Molecular FormulaC8H12Cl2O2
Molecular Weight211.09 g/mol
Exact Mass210.02
IUPAC Namecarbonochloridic acid;2-(1-chloroethenyl)-1,1-dimethylcyclopropane
SMILESC=C(Cl)C1CC1(C)C.O=C(O)Cl
InChIInChI=1S/C7H11Cl.CHClO2/c1-5(8)6-4-7(6,2)3;2-1(3)4/h6H,1,4H2,2-3H3;(H,3,4)
InChIKeyUDNVQYWTGSIKFN-UHFFFAOYSA-N
XLogP3.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.09
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2,2-dimethylcyclopropane-1-carbonyl chloride
CID 28875815
benzene;2,2-dimethylcyclopropane-1-carboxylic acid
CID 144977859
trans-(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropane-1-carbonyl chloride
CID 93494643
CID 100937333
CID 100937333
trans-(1S,3R)-4,4-dimethylcyclopentane-1,3-dicarboxylic acid
CID 130964910
1-(2,2-dimethylcyclopropyl)but-3-en-1-one
CID 107003815
1-[(1S)-2,2-dimethylcyclopropyl]-2-methylpropan-1-one
CID 90129359
N-but-3-en-2-yl-2,2-dimethylcyclopropane-1-carboxamide
CID 131065377
(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(2,2-dimethylcyclopropyl)methanone
CID 107003191
cis-(1R,2S)-1-methylcyclopropane-1,2-dicarbonyl chloride
CID 131845501
carbonochloridic acid;prop-1-en-2-olate
CID 172743448
carbonochloridic acid;methanol
CID 159093381

Frequently Asked Questions

What is the IUPAC name of carbonochloridic acid;2-(1-chloroethenyl)-1,1-dimethylcyclopropane?
The IUPAC name of carbonochloridic acid;2-(1-chloroethenyl)-1,1-dimethylcyclopropane (CID 88740342) is carbonochloridic acid;2-(1-chloroethenyl)-1,1-dimethylcyclopropane.
What is the SMILES notation for carbonochloridic acid;2-(1-chloroethenyl)-1,1-dimethylcyclopropane?
The canonical SMILES for carbonochloridic acid;2-(1-chloroethenyl)-1,1-dimethylcyclopropane is C=C(Cl)C1CC1(C)C.O=C(O)Cl.
What is the InChIKey of carbonochloridic acid;2-(1-chloroethenyl)-1,1-dimethylcyclopropane?
The InChIKey is UDNVQYWTGSIKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl.CHClO2/c1-5(8)6-4-7(6,2)3;2-1(3)4/h6H,1,4H2,2-3H3;(H,3,4).
What are the key properties of carbonochloridic acid;2-(1-chloroethenyl)-1,1-dimethylcyclopropane?
carbonochloridic acid;2-(1-chloroethenyl)-1,1-dimethylcyclopropane has a molecular weight of 211.09 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonochloridic acid;2-(1-chloroethenyl)-1,1-dimethylcyclopropane is sourced from PubChem (CID 88740342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).