ethane-1,2-diol;ethene;methoxymethane

C18H40O3 — CID 173052211

IUPACethane-1,2-diol;ethene;methoxymethane
SMILESC=C.C=C.C=C.C=C.C=C.C=C.C=C.COC.OCCO
InChIInChI=1S/C2H6O2.C2H6O.7C2H4/c3-1-2-4;1-3-2;7*1-2/h3-4H,1-2H2;1-2H3;7*1-2H2
InChIKeyDKXLJCMGSWOJKX-UHFFFAOYSA-N
MW304.52 g/mol
LogP4.85
Rot. Bonds1

About ethane-1,2-diol;ethene;methoxymethane

ethane-1,2-diol;ethene;methoxymethane (PubChem CID 173052211) has the molecular formula C18H40O3 and a molecular weight of 304.52 g/mol. Its IUPAC name is ethane-1,2-diol;ethene;methoxymethane.

Molecular Properties

Compound Nameethane-1,2-diol;ethene;methoxymethane
PubChem CID173052211
Molecular FormulaC18H40O3
Molecular Weight304.52 g/mol
Exact Mass304.30
IUPAC Nameethane-1,2-diol;ethene;methoxymethane
SMILESC=C.C=C.C=C.C=C.C=C.C=C.C=C.COC.OCCO
InChIInChI=1S/C2H6O2.C2H6O.7C2H4/c3-1-2-4;1-3-2;7*1-2/h3-4H,1-2H2;1-2H3;7*1-2H2
InChIKeyDKXLJCMGSWOJKX-UHFFFAOYSA-N
XLogP4.85
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.52
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;ethene;methoxymethane?
The IUPAC name of ethane-1,2-diol;ethene;methoxymethane (CID 173052211) is ethane-1,2-diol;ethene;methoxymethane.
What is the SMILES notation for ethane-1,2-diol;ethene;methoxymethane?
The canonical SMILES for ethane-1,2-diol;ethene;methoxymethane is C=C.C=C.C=C.C=C.C=C.C=C.C=C.COC.OCCO.
What is the InChIKey of ethane-1,2-diol;ethene;methoxymethane?
The InChIKey is DKXLJCMGSWOJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2.C2H6O.7C2H4/c3-1-2-4;1-3-2;7*1-2/h3-4H,1-2H2;1-2H3;7*1-2H2.
What are the key properties of ethane-1,2-diol;ethene;methoxymethane?
ethane-1,2-diol;ethene;methoxymethane has a molecular weight of 304.52 g/mol, XLogP of 4.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;ethene;methoxymethane is sourced from PubChem (CID 173052211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).