cyclopropylmethyl carbonochloridate

C5H7ClO2 — CID 15917591

IUPACcyclopropylmethyl carbonochloridate
SMILESO=C(Cl)OCC1CC1
InChIInChI=1S/C5H7ClO2/c6-5(7)8-3-4-1-2-4/h4H,1-3H2
InChIKeyCUTUSCCYCWQYPQ-UHFFFAOYSA-N
MW134.56 g/mol
LogP1.77
Rot. Bonds2

About cyclopropylmethyl carbonochloridate

cyclopropylmethyl carbonochloridate (PubChem CID 15917591) has the molecular formula C5H7ClO2 and a molecular weight of 134.56 g/mol. Its IUPAC name is cyclopropylmethyl carbonochloridate.

Molecular Properties

Compound Namecyclopropylmethyl carbonochloridate
PubChem CID15917591
Molecular FormulaC5H7ClO2
Molecular Weight134.56 g/mol
Exact Mass134.01
IUPAC Namecyclopropylmethyl carbonochloridate
SMILESO=C(Cl)OCC1CC1
InChIInChI=1S/C5H7ClO2/c6-5(7)8-3-4-1-2-4/h4H,1-3H2
InChIKeyCUTUSCCYCWQYPQ-UHFFFAOYSA-N
XLogP1.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.56
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclopropylmethyl carbonochloridate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopropylmethyl acetate
CID 538333
cyclopropylmethyl methyl carbonate
CID 54535586
(2-hydroxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methyl carbonochloridate
CID 129043470
pyrrolidin-2-ylmethyl carbonochloridate
CID 175149666
cyclopropylmethyl 2-bromo-2-methylpropanoate
CID 134896391
cyclopropylmethyl 3-oxopropanoate
CID 174157836
cyclopropylmethyl (2R)-2-amino-3-hydroxypropanoate
CID 12993308
cyclopropylmethyl 3-oxobutanoate
CID 10012135
cyclopropylmethyl 3-sulfanylpropanoate
CID 107018207
2-cyclohexylethyl carbonochloridate
CID 19994353
cyclopropylmethyl 2-sulfanylpropanoate
CID 107018198
ethane;(4-methylcyclohexyl)methyl acetate
CID 144507702

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl carbonochloridate?
The IUPAC name of cyclopropylmethyl carbonochloridate (CID 15917591) is cyclopropylmethyl carbonochloridate.
What is the SMILES notation for cyclopropylmethyl carbonochloridate?
The canonical SMILES for cyclopropylmethyl carbonochloridate is O=C(Cl)OCC1CC1.
What is the InChIKey of cyclopropylmethyl carbonochloridate?
The InChIKey is CUTUSCCYCWQYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClO2/c6-5(7)8-3-4-1-2-4/h4H,1-3H2.
What are the key properties of cyclopropylmethyl carbonochloridate?
cyclopropylmethyl carbonochloridate has a molecular weight of 134.56 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl carbonochloridate is sourced from PubChem (CID 15917591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).