ethane;isocyanomethane;methoxyethane

C7H17NO — CID 90763536

IUPACethane;isocyanomethane;methoxyethane
SMILESCC.CCOC.[C-]#[N+]C
InChIInChI=1S/C3H8O.C2H3N.C2H6/c1-3-4-2;1-3-2;1-2/h3H2,1-2H3;1H3;1-2H3
InChIKeyVJCHCXIECLIATC-UHFFFAOYSA-N
MW131.22 g/mol
LogP2.21
Rot. Bonds1

About ethane;isocyanomethane;methoxyethane

ethane;isocyanomethane;methoxyethane (PubChem CID 90763536) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is ethane;isocyanomethane;methoxyethane.

Molecular Properties

Compound Nameethane;isocyanomethane;methoxyethane
PubChem CID90763536
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Nameethane;isocyanomethane;methoxyethane
SMILESCC.CCOC.[C-]#[N+]C
InChIInChI=1S/C3H8O.C2H3N.C2H6/c1-3-4-2;1-3-2;1-2/h3H2,1-2H3;1H3;1-2H3
InChIKeyVJCHCXIECLIATC-UHFFFAOYSA-N
XLogP2.21
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;isocyanomethane;methoxyethane?
The IUPAC name of ethane;isocyanomethane;methoxyethane (CID 90763536) is ethane;isocyanomethane;methoxyethane.
What is the SMILES notation for ethane;isocyanomethane;methoxyethane?
The canonical SMILES for ethane;isocyanomethane;methoxyethane is CC.CCOC.[C-]#[N+]C.
What is the InChIKey of ethane;isocyanomethane;methoxyethane?
The InChIKey is VJCHCXIECLIATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.C2H3N.C2H6/c1-3-4-2;1-3-2;1-2/h3H2,1-2H3;1H3;1-2H3.
What are the key properties of ethane;isocyanomethane;methoxyethane?
ethane;isocyanomethane;methoxyethane has a molecular weight of 131.22 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;isocyanomethane;methoxyethane is sourced from PubChem (CID 90763536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).