methanol;heptahydrate;hydrochloride

CH19ClO8 — CID 172693802

IUPACmethanol;heptahydrate;hydrochloride
SMILESCO.Cl.O.O.O.O.O.O.O
InChIInChI=1S/CH4O.ClH.7H2O/c1-2;;;;;;;;/h2H,1H3;1H;7*1H2
InChIKeyCASWYHDHSIIDNM-UHFFFAOYSA-N
MW194.61 g/mol
LogP-5.74
Rot. Bonds

About methanol;heptahydrate;hydrochloride

methanol;heptahydrate;hydrochloride (PubChem CID 172693802) has the molecular formula CH19ClO8 and a molecular weight of 194.61 g/mol. Its IUPAC name is methanol;heptahydrate;hydrochloride.

Molecular Properties

Compound Namemethanol;heptahydrate;hydrochloride
PubChem CID172693802
Molecular FormulaCH19ClO8
Molecular Weight194.61 g/mol
Exact Mass194.08
IUPAC Namemethanol;heptahydrate;hydrochloride
SMILESCO.Cl.O.O.O.O.O.O.O
InChIInChI=1S/CH4O.ClH.7H2O/c1-2;;;;;;;;/h2H,1H3;1H;7*1H2
InChIKeyCASWYHDHSIIDNM-UHFFFAOYSA-N
XLogP-5.74
TPSA240.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.61
LogP ≤ 5-5.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methanol;heptahydrate;hydrochloride?
The IUPAC name of methanol;heptahydrate;hydrochloride (CID 172693802) is methanol;heptahydrate;hydrochloride.
What is the SMILES notation for methanol;heptahydrate;hydrochloride?
The canonical SMILES for methanol;heptahydrate;hydrochloride is CO.Cl.O.O.O.O.O.O.O.
What is the InChIKey of methanol;heptahydrate;hydrochloride?
The InChIKey is CASWYHDHSIIDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O.ClH.7H2O/c1-2;;;;;;;;/h2H,1H3;1H;7*1H2.
What are the key properties of methanol;heptahydrate;hydrochloride?
methanol;heptahydrate;hydrochloride has a molecular weight of 194.61 g/mol, XLogP of -5.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;heptahydrate;hydrochloride is sourced from PubChem (CID 172693802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).