dichloromethane;methyl hydrogen carbonate

C3H6Cl2O3 — CID 160547489

IUPACdichloromethane;methyl hydrogen carbonate
SMILESCOC(=O)O.ClCCl
InChIInChI=1S/C2H4O3.CH2Cl2/c1-5-2(3)4;2-1-3/h1H3,(H,3,4);1H2
InChIKeyQXPVFSZCJNOPFW-UHFFFAOYSA-N
MW160.98 g/mol
LogP1.73
Rot. Bonds

About dichloromethane;methyl hydrogen carbonate

dichloromethane;methyl hydrogen carbonate (PubChem CID 160547489) has the molecular formula C3H6Cl2O3 and a molecular weight of 160.98 g/mol. Its IUPAC name is dichloromethane;methyl hydrogen carbonate.

Molecular Properties

Compound Namedichloromethane;methyl hydrogen carbonate
PubChem CID160547489
Molecular FormulaC3H6Cl2O3
Molecular Weight160.98 g/mol
Exact Mass159.97
IUPAC Namedichloromethane;methyl hydrogen carbonate
SMILESCOC(=O)O.ClCCl
InChIInChI=1S/C2H4O3.CH2Cl2/c1-5-2(3)4;2-1-3/h1H3,(H,3,4);1H2
InChIKeyQXPVFSZCJNOPFW-UHFFFAOYSA-N
XLogP1.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.98
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;methyl hydrogen carbonate
CID 175554276
methyl hydrogen carbonate;propan-2-one
CID 157174234
carboxy hydrogen carbonate;dichloromethane
CID 88783649
dimethylsilane;methyl hydrogen carbonate
CID 175108197
methyl hydrogen carbonate;sulfuric acid
CID 172863213
carbonic acid;dichloromethane
CID 87514103
acetic acid;(dichloromethane);methanol
CID 173388034
2-methoxyethanol;methyl hydrogen carbonate
CID 160714037
(2S)-2-hydroxypropanoic acid;methyl hydrogen carbonate
CID 158096678
sodium;hydride;methyl hydrogen carbonate;hexatetrafluoroborate
CID 175034808
methyl hydrogen carbonate;2,2,2-trifluoroacetic acid
CID 158638631
methyl 3-chloro-2-oxopropanoate
CID 12530121

Frequently Asked Questions

What is the IUPAC name of dichloromethane;methyl hydrogen carbonate?
The IUPAC name of dichloromethane;methyl hydrogen carbonate (CID 160547489) is dichloromethane;methyl hydrogen carbonate.
What is the SMILES notation for dichloromethane;methyl hydrogen carbonate?
The canonical SMILES for dichloromethane;methyl hydrogen carbonate is COC(=O)O.ClCCl.
What is the InChIKey of dichloromethane;methyl hydrogen carbonate?
The InChIKey is QXPVFSZCJNOPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O3.CH2Cl2/c1-5-2(3)4;2-1-3/h1H3,(H,3,4);1H2.
What are the key properties of dichloromethane;methyl hydrogen carbonate?
dichloromethane;methyl hydrogen carbonate has a molecular weight of 160.98 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;methyl hydrogen carbonate is sourced from PubChem (CID 160547489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).