ethenyl hydrogen carbonate;methane

C4H8O3 — CID 175034349

IUPACethenyl hydrogen carbonate;methane
SMILESC.C=COC(=O)O
InChIInChI=1S/C3H4O3.CH4/c1-2-6-3(4)5;/h2H,1H2,(H,4,5);1H4
InChIKeyBNULZYXCBXGWFP-UHFFFAOYSA-N
MW104.11 g/mol
LogP1.46
Rot. Bonds1

About ethenyl hydrogen carbonate;methane

ethenyl hydrogen carbonate;methane (PubChem CID 175034349) has the molecular formula C4H8O3 and a molecular weight of 104.11 g/mol. Its IUPAC name is ethenyl hydrogen carbonate;methane.

Molecular Properties

Compound Nameethenyl hydrogen carbonate;methane
PubChem CID175034349
Molecular FormulaC4H8O3
Molecular Weight104.11 g/mol
Exact Mass104.05
IUPAC Nameethenyl hydrogen carbonate;methane
SMILESC.C=COC(=O)O
InChIInChI=1S/C3H4O3.CH4/c1-2-6-3(4)5;/h2H,1H2,(H,4,5);1H4
InChIKeyBNULZYXCBXGWFP-UHFFFAOYSA-N
XLogP1.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetonitrile;ethenyl hydrogen carbonate
CID 174594655
biphenylene;ethenyl hydrogen carbonate
CID 67591083
ethenyl hydrogen carbonate;thiolane 1,1-dioxide
CID 174738238
ethenyl hydrogen carbonate;2-methylpenta-2,4-dienoic acid
CID 173185262
2-ethenoxyethenyl hydrogen carbonate
CID 154397634
bis(ethenyl) carbonate;ethene
CID 87073622
carbonofluoridic acid;ethenyl carbonofluoridate
CID 175081122
ethenyl carbonochloridate;methane;dihydrochloride
CID 174491534
carbonic acid;trifluoromethoxyethene
CID 175150293
[(1E)-buta-1,3-dienyl] hydrogen carbonate
CID 102018408
ethenyl acetate
CID 7904
carbonofluoridic acid;ethenyl acetate
CID 157176220

Frequently Asked Questions

What is the IUPAC name of ethenyl hydrogen carbonate;methane?
The IUPAC name of ethenyl hydrogen carbonate;methane (CID 175034349) is ethenyl hydrogen carbonate;methane.
What is the SMILES notation for ethenyl hydrogen carbonate;methane?
The canonical SMILES for ethenyl hydrogen carbonate;methane is C.C=COC(=O)O.
What is the InChIKey of ethenyl hydrogen carbonate;methane?
The InChIKey is BNULZYXCBXGWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O3.CH4/c1-2-6-3(4)5;/h2H,1H2,(H,4,5);1H4.
What are the key properties of ethenyl hydrogen carbonate;methane?
ethenyl hydrogen carbonate;methane has a molecular weight of 104.11 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl hydrogen carbonate;methane is sourced from PubChem (CID 175034349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).