ethenoxyethene;propane

C7H14O — CID 22336318

IUPACethenoxyethene;propane
SMILESC=COC=C.CCC
InChIInChI=1S/C4H6O.C3H8/c1-3-5-4-2;1-3-2/h3-4H,1-2H2;3H2,1-2H3
InChIKeyCPEXGTMZWPBABC-UHFFFAOYSA-N
MW114.19 g/mol
LogP2.71
Rot. Bonds2

About ethenoxyethene;propane

ethenoxyethene;propane (PubChem CID 22336318) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is ethenoxyethene;propane.

Molecular Properties

Compound Nameethenoxyethene;propane
PubChem CID22336318
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Nameethenoxyethene;propane
SMILESC=COC=C.CCC
InChIInChI=1S/C4H6O.C3H8/c1-3-5-4-2;1-3-2/h3-4H,1-2H2;3H2,1-2H3
InChIKeyCPEXGTMZWPBABC-UHFFFAOYSA-N
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 52.71
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 ethenoxyethene;propane?
The IUPAC name of ethenoxyethene;propane (CID 22336318) is ethenoxyethene;propane.
What is the SMILES notation for ethenoxyethene;propane?
The canonical SMILES for ethenoxyethene;propane is C=COC=C.CCC.
What is the InChIKey of ethenoxyethene;propane?
The InChIKey is CPEXGTMZWPBABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O.C3H8/c1-3-5-4-2;1-3-2/h3-4H,1-2H2;3H2,1-2H3.
What are the key properties of ethenoxyethene;propane?
ethenoxyethene;propane has a molecular weight of 114.19 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxyethene;propane is sourced from PubChem (CID 22336318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).