methoxyethene;molecular hydrogen

C3H8O — CID 173062659

IUPACmethoxyethene;molecular hydrogen
SMILESC=COC.[H][H]
InChIInChI=1S/C3H6O.H2/c1-3-4-2;/h3H,1H2,2H3;1H
InChIKeyDDWWXLPFSXZIJJ-UHFFFAOYSA-N
MW60.10 g/mol
LogP1.02
Rot. Bonds1

About methoxyethene;molecular hydrogen

methoxyethene;molecular hydrogen (PubChem CID 173062659) has the molecular formula C3H8O and a molecular weight of 60.10 g/mol. Its IUPAC name is methoxyethene;molecular hydrogen.

Molecular Properties

Compound Namemethoxyethene;molecular hydrogen
PubChem CID173062659
Molecular FormulaC3H8O
Molecular Weight60.10 g/mol
Exact Mass60.06
IUPAC Namemethoxyethene;molecular hydrogen
SMILESC=COC.[H][H]
InChIInChI=1S/C3H6O.H2/c1-3-4-2;/h3H,1H2,2H3;1H
InChIKeyDDWWXLPFSXZIJJ-UHFFFAOYSA-N
XLogP1.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50060.10
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxyethene;molecular hydrogen?
The IUPAC name of methoxyethene;molecular hydrogen (CID 173062659) is methoxyethene;molecular hydrogen.
What is the SMILES notation for methoxyethene;molecular hydrogen?
The canonical SMILES for methoxyethene;molecular hydrogen is C=COC.[H][H].
What is the InChIKey of methoxyethene;molecular hydrogen?
The InChIKey is DDWWXLPFSXZIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.H2/c1-3-4-2;/h3H,1H2,2H3;1H.
What are the key properties of methoxyethene;molecular hydrogen?
methoxyethene;molecular hydrogen has a molecular weight of 60.10 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyethene;molecular hydrogen is sourced from PubChem (CID 173062659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).