methane;4-methyl-1,3-dioxolane;dihydrochloride

C6H18Cl2O2 — CID 174714433

IUPACmethane;4-methyl-1,3-dioxolane;dihydrochloride
SMILESC.C.CC1COCO1.Cl.Cl
InChIInChI=1S/C4H8O2.2CH4.2ClH/c1-4-2-5-3-6-4;;;;/h4H,2-3H2,1H3;2*1H4;2*1H
InChIKeyOTMSBHOCPVLVJS-UHFFFAOYSA-N
MW193.11 g/mol
LogP2.49
Rot. Bonds

About methane;4-methyl-1,3-dioxolane;dihydrochloride

methane;4-methyl-1,3-dioxolane;dihydrochloride (PubChem CID 174714433) has the molecular formula C6H18Cl2O2 and a molecular weight of 193.11 g/mol. Its IUPAC name is methane;4-methyl-1,3-dioxolane;dihydrochloride.

Molecular Properties

Compound Namemethane;4-methyl-1,3-dioxolane;dihydrochloride
PubChem CID174714433
Molecular FormulaC6H18Cl2O2
Molecular Weight193.11 g/mol
Exact Mass192.07
IUPAC Namemethane;4-methyl-1,3-dioxolane;dihydrochloride
SMILESC.C.CC1COCO1.Cl.Cl
InChIInChI=1S/C4H8O2.2CH4.2ClH/c1-4-2-5-3-6-4;;;;/h4H,2-3H2,1H3;2*1H4;2*1H
InChIKeyOTMSBHOCPVLVJS-UHFFFAOYSA-N
XLogP2.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.11
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methane;4-methyl-1,3-dioxolane;dihydrochloride?
The IUPAC name of methane;4-methyl-1,3-dioxolane;dihydrochloride (CID 174714433) is methane;4-methyl-1,3-dioxolane;dihydrochloride.
What is the SMILES notation for methane;4-methyl-1,3-dioxolane;dihydrochloride?
The canonical SMILES for methane;4-methyl-1,3-dioxolane;dihydrochloride is C.C.CC1COCO1.Cl.Cl.
What is the InChIKey of methane;4-methyl-1,3-dioxolane;dihydrochloride?
The InChIKey is OTMSBHOCPVLVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.2CH4.2ClH/c1-4-2-5-3-6-4;;;;/h4H,2-3H2,1H3;2*1H4;2*1H.
What are the key properties of methane;4-methyl-1,3-dioxolane;dihydrochloride?
methane;4-methyl-1,3-dioxolane;dihydrochloride has a molecular weight of 193.11 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-methyl-1,3-dioxolane;dihydrochloride is sourced from PubChem (CID 174714433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).