chloro (1-methylcyclopropyl) carbonate

C5H7ClO3 — CID 140540913

IUPACchloro (1-methylcyclopropyl) carbonate
SMILESCC1(OC(=O)OCl)CC1
InChIInChI=1S/C5H7ClO3/c1-5(2-3-5)8-4(7)9-6/h2-3H2,1H3
InChIKeyQLEKJDYAAMXCTA-UHFFFAOYSA-N
MW150.56 g/mol
LogP1.85
Rot. Bonds1

About chloro (1-methylcyclopropyl) carbonate

chloro (1-methylcyclopropyl) carbonate (PubChem CID 140540913) has the molecular formula C5H7ClO3 and a molecular weight of 150.56 g/mol. Its IUPAC name is chloro (1-methylcyclopropyl) carbonate.

Molecular Properties

Compound Namechloro (1-methylcyclopropyl) carbonate
PubChem CID140540913
Molecular FormulaC5H7ClO3
Molecular Weight150.56 g/mol
Exact Mass150.01
IUPAC Namechloro (1-methylcyclopropyl) carbonate
SMILESCC1(OC(=O)OCl)CC1
InChIInChI=1S/C5H7ClO3/c1-5(2-3-5)8-4(7)9-6/h2-3H2,1H3
InChIKeyQLEKJDYAAMXCTA-UHFFFAOYSA-N
XLogP1.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.56
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of chloro (1-methylcyclopropyl) carbonate?
The IUPAC name of chloro (1-methylcyclopropyl) carbonate (CID 140540913) is chloro (1-methylcyclopropyl) carbonate.
What is the SMILES notation for chloro (1-methylcyclopropyl) carbonate?
The canonical SMILES for chloro (1-methylcyclopropyl) carbonate is CC1(OC(=O)OCl)CC1.
What is the InChIKey of chloro (1-methylcyclopropyl) carbonate?
The InChIKey is QLEKJDYAAMXCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClO3/c1-5(2-3-5)8-4(7)9-6/h2-3H2,1H3.
What are the key properties of chloro (1-methylcyclopropyl) carbonate?
chloro (1-methylcyclopropyl) carbonate has a molecular weight of 150.56 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro (1-methylcyclopropyl) carbonate is sourced from PubChem (CID 140540913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).