ethane;4-methylideneoxane

C8H16O — CID 91360466

IUPACethane;4-methylideneoxane
SMILESC=C1CCOCC1.CC
InChIInChI=1S/C6H10O.C2H6/c1-6-2-4-7-5-3-6;1-2/h1-5H2;1-2H3
InChIKeyXYLDKXGVUKBUNE-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.38
Rot. Bonds

About ethane;4-methylideneoxane

ethane;4-methylideneoxane (PubChem CID 91360466) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is ethane;4-methylideneoxane.

Molecular Properties

Compound Nameethane;4-methylideneoxane
PubChem CID91360466
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Nameethane;4-methylideneoxane
SMILESC=C1CCOCC1.CC
InChIInChI=1S/C6H10O.C2H6/c1-6-2-4-7-5-3-6;1-2/h1-5H2;1-2H3
InChIKeyXYLDKXGVUKBUNE-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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;4-methylideneoxane?
The IUPAC name of ethane;4-methylideneoxane (CID 91360466) is ethane;4-methylideneoxane.
What is the SMILES notation for ethane;4-methylideneoxane?
The canonical SMILES for ethane;4-methylideneoxane is C=C1CCOCC1.CC.
What is the InChIKey of ethane;4-methylideneoxane?
The InChIKey is XYLDKXGVUKBUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C2H6/c1-6-2-4-7-5-3-6;1-2/h1-5H2;1-2H3.
What are the key properties of ethane;4-methylideneoxane?
ethane;4-methylideneoxane has a molecular weight of 128.21 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methylideneoxane is sourced from PubChem (CID 91360466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).