carbonochloridoyl 2-cyclopropylethyl carbonate

C7H9ClO4 — CID 175539092

IUPACcarbonochloridoyl 2-cyclopropylethyl carbonate
SMILESO=C(Cl)OC(=O)OCCC1CC1
InChIInChI=1S/C7H9ClO4/c8-6(9)12-7(10)11-4-3-5-1-2-5/h5H,1-4H2
InChIKeyYIPSYBWQFLUHGT-UHFFFAOYSA-N
MW192.60 g/mol
LogP2.30
Rot. Bonds3

About carbonochloridoyl 2-cyclopropylethyl carbonate

carbonochloridoyl 2-cyclopropylethyl carbonate (PubChem CID 175539092) has the molecular formula C7H9ClO4 and a molecular weight of 192.60 g/mol. Its IUPAC name is carbonochloridoyl 2-cyclopropylethyl carbonate.

Molecular Properties

Compound Namecarbonochloridoyl 2-cyclopropylethyl carbonate
PubChem CID175539092
Molecular FormulaC7H9ClO4
Molecular Weight192.60 g/mol
Exact Mass192.02
IUPAC Namecarbonochloridoyl 2-cyclopropylethyl carbonate
SMILESO=C(Cl)OC(=O)OCCC1CC1
InChIInChI=1S/C7H9ClO4/c8-6(9)12-7(10)11-4-3-5-1-2-5/h5H,1-4H2
InChIKeyYIPSYBWQFLUHGT-UHFFFAOYSA-N
XLogP2.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.60
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

bis[2-(4-hydroxycyclohexyl)ethyl] carbonate
CID 140760910
2-cyclohexylethyl carbonochloridate
CID 19994353
2-cyclopentylethyl methyl carbonate
CID 66771150
cyclopropylmethyl carbonochloridate
CID 15917591
N-(2-cyclopropylethoxymethoxy)acetamide
CID 139698725
2-cyclopropylethyl 2-aminobutanoate
CID 106202655
bis(2-cyclopentylethyl) propanedioate
CID 67140627
2-amino-2-cyclopropyl-3-(2-cyclopropylethoxy)propanoic acid
CID 106204435
methyl 2-(2-cyclobutylethoxy)propanoate
CID 106199364
2-cyclopropylethyl 1-aminocyclopentane-1-carboxylate
CID 106202522
2-cyclopropylethyl piperidine-1-carboxylate
CID 142778075
2-(2-cyclopropylethoxy)propyl propanoate
CID 145115500

Frequently Asked Questions

What is the IUPAC name of carbonochloridoyl 2-cyclopropylethyl carbonate?
The IUPAC name of carbonochloridoyl 2-cyclopropylethyl carbonate (CID 175539092) is carbonochloridoyl 2-cyclopropylethyl carbonate.
What is the SMILES notation for carbonochloridoyl 2-cyclopropylethyl carbonate?
The canonical SMILES for carbonochloridoyl 2-cyclopropylethyl carbonate is O=C(Cl)OC(=O)OCCC1CC1.
What is the InChIKey of carbonochloridoyl 2-cyclopropylethyl carbonate?
The InChIKey is YIPSYBWQFLUHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClO4/c8-6(9)12-7(10)11-4-3-5-1-2-5/h5H,1-4H2.
What are the key properties of carbonochloridoyl 2-cyclopropylethyl carbonate?
carbonochloridoyl 2-cyclopropylethyl carbonate has a molecular weight of 192.60 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbonochloridoyl 2-cyclopropylethyl carbonate is sourced from PubChem (CID 175539092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).