methane;propa-1,2-diene;hydrate

C5H14O — CID 169425372

IUPACmethane;propa-1,2-diene;hydrate
SMILESC.C.C=C=C.O
InChIInChI=1S/C3H4.2CH4.H2O/c1-3-2;;;/h1-2H2;2*1H4;1H2
InChIKeyWWDNAWQIHSLMBO-UHFFFAOYSA-N
MW90.17 g/mol
LogP1.40
Rot. Bonds

About methane;propa-1,2-diene;hydrate

methane;propa-1,2-diene;hydrate (PubChem CID 169425372) has the molecular formula C5H14O and a molecular weight of 90.17 g/mol. Its IUPAC name is methane;propa-1,2-diene;hydrate.

Molecular Properties

Compound Namemethane;propa-1,2-diene;hydrate
PubChem CID169425372
Molecular FormulaC5H14O
Molecular Weight90.17 g/mol
Exact Mass90.10
IUPAC Namemethane;propa-1,2-diene;hydrate
SMILESC.C.C=C=C.O
InChIInChI=1S/C3H4.2CH4.H2O/c1-3-2;;;/h1-2H2;2*1H4;1H2
InChIKeyWWDNAWQIHSLMBO-UHFFFAOYSA-N
XLogP1.40
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.17
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze methane;propa-1,2-diene;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;bis(propa-1,2-diene)
CID 158722714
propa-1,2-diene
CID 10037
methane;propa-1,2-diene;propane
CID 160788212
ethenimine;hydrate
CID 173030024
benzene;propa-1,2-diene
CID 159058738
cyano thiocyanate;propa-1,2-diene
CID 175076355
ethene;methane;hydrate
CID 158941715
bis(buta-1,3-diene);propa-1,2-diene
CID 174876021
methane;dihydrate
CID 139272159
azane;carbon dioxide;ethene;methane;hydrate
CID 172744439
propa-1,2-diene;propan-2-one
CID 159669386
ethenylidenesilane
CID 91235902

Frequently Asked Questions

What is the IUPAC name of methane;propa-1,2-diene;hydrate?
The IUPAC name of methane;propa-1,2-diene;hydrate (CID 169425372) is methane;propa-1,2-diene;hydrate.
What is the SMILES notation for methane;propa-1,2-diene;hydrate?
The canonical SMILES for methane;propa-1,2-diene;hydrate is C.C.C=C=C.O.
What is the InChIKey of methane;propa-1,2-diene;hydrate?
The InChIKey is WWDNAWQIHSLMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4.2CH4.H2O/c1-3-2;;;/h1-2H2;2*1H4;1H2.
What are the key properties of methane;propa-1,2-diene;hydrate?
methane;propa-1,2-diene;hydrate has a molecular weight of 90.17 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;propa-1,2-diene;hydrate is sourced from PubChem (CID 169425372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).