methane;dihydrate

C4H20O2 — CID 139272159

IUPACmethane;dihydrate
SMILESC.C.C.C.O.O
InChIInChI=1S/4CH4.2H2O/h4*1H4;2*1H2
InChIKeyGTRBAEBSSRYEGQ-UHFFFAOYSA-N
MW100.20 g/mol
LogP0.89
Rot. Bonds

About methane;dihydrate

methane;dihydrate (PubChem CID 139272159) has the molecular formula C4H20O2 and a molecular weight of 100.20 g/mol. Its IUPAC name is methane;dihydrate.

Molecular Properties

Compound Namemethane;dihydrate
PubChem CID139272159
Molecular FormulaC4H20O2
Molecular Weight100.20 g/mol
Exact Mass100.15
IUPAC Namemethane;dihydrate
SMILESC.C.C.C.O.O
InChIInChI=1S/4CH4.2H2O/h4*1H4;2*1H2
InChIKeyGTRBAEBSSRYEGQ-UHFFFAOYSA-N
XLogP0.89
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.20
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cobalt;methane;hydrate
CID 174257480
methane
CID 157230417
methane
CID 169425837
methane;molecular oxygen;dihydrate
CID 169423801
azane;iron;methane;hydrate
CID 172815654
methane;sulfane;hydrate;hydrochloride
CID 174531057
methane;sulfane;hydrate;hydrobromide
CID 174517570
methane
CID 160708418
oxidane
CID 657017
methane
CID 162219706
methane
CID 159881189
oxidane
CID 173081003

Frequently Asked Questions

What is the IUPAC name of methane;dihydrate?
The IUPAC name of methane;dihydrate (CID 139272159) is methane;dihydrate.
What is the SMILES notation for methane;dihydrate?
The canonical SMILES for methane;dihydrate is C.C.C.C.O.O.
What is the InChIKey of methane;dihydrate?
The InChIKey is GTRBAEBSSRYEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/4CH4.2H2O/h4*1H4;2*1H2.
What are the key properties of methane;dihydrate?
methane;dihydrate has a molecular weight of 100.20 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;dihydrate is sourced from PubChem (CID 139272159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).