oxane dichloride

C10H20Cl2O2-2 — CID 19601825

IUPACoxane dichloride
SMILESC1CCOCC1.C1CCOCC1.[Cl-].[Cl-]
InChIInChI=1S/2C5H10O.2ClH/c2*1-2-4-6-5-3-1;;/h2*1-5H2;2*1H/p-2
InChIKeyVYECJDSJRMEMJG-UHFFFAOYSA-L
MW243.17 g/mol
LogP-3.62
Rot. Bonds

About oxane dichloride

oxane dichloride (PubChem CID 19601825) has the molecular formula C10H20Cl2O2-2 and a molecular weight of 243.17 g/mol. Its IUPAC name is oxane dichloride.

Molecular Properties

Compound Nameoxane dichloride
PubChem CID19601825
Molecular FormulaC10H20Cl2O2-2
Molecular Weight243.17 g/mol
Exact Mass242.09
IUPAC Nameoxane dichloride
SMILESC1CCOCC1.C1CCOCC1.[Cl-].[Cl-]
InChIInChI=1S/2C5H10O.2ClH/c2*1-2-4-6-5-3-1;;/h2*1-5H2;2*1H/p-2
InChIKeyVYECJDSJRMEMJG-UHFFFAOYSA-L
XLogP-3.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.17
LogP ≤ 5-3.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

oxane;oxepane;oxocane;oxolane
CID 159745968
cycloheptane;oxolane
CID 23033083
cyclobutane;oxolane
CID 158733546
oxacyclotetracosane
CID 57108486
oxolane;oxonane
CID 159283889
oxacycloheptadecane
CID 22011753
cyclohexane;oxane
CID 20574508
carbanide;oxolane;yttrium
CID 157283457
hafnium(4+);oxolane;tetrachloride
CID 170853146
1,4,7-trioxacyclotridecane
CID 118017817
λ2-plumbane;oxane
CID 173444965
oxacyclotetradecane;dihydrate
CID 173194889

Frequently Asked Questions

What is the IUPAC name of oxane dichloride?
The IUPAC name of oxane dichloride (CID 19601825) is oxane dichloride.
What is the SMILES notation for oxane dichloride?
The canonical SMILES for oxane dichloride is C1CCOCC1.C1CCOCC1.[Cl-].[Cl-].
What is the InChIKey of oxane dichloride?
The InChIKey is VYECJDSJRMEMJG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H10O.2ClH/c2*1-2-4-6-5-3-1;;/h2*1-5H2;2*1H/p-2.
What are the key properties of oxane dichloride?
oxane dichloride has a molecular weight of 243.17 g/mol, XLogP of -3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxane dichloride is sourced from PubChem (CID 19601825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).