4-ethyloxane;methane

C8H18O — CID 142240463

IUPAC4-ethyloxane;methane
SMILESC.CCC1CCOCC1
InChIInChI=1S/C7H14O.CH4/c1-2-7-3-5-8-6-4-7;/h7H,2-6H2,1H3;1H4
InChIKeyKRZWGAYBHXQRSI-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.46
Rot. Bonds1

About 4-ethyloxane;methane

4-ethyloxane;methane (PubChem CID 142240463) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is 4-ethyloxane;methane.

Molecular Properties

Compound Name4-ethyloxane;methane
PubChem CID142240463
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name4-ethyloxane;methane
SMILESC.CCC1CCOCC1
InChIInChI=1S/C7H14O.CH4/c1-2-7-3-5-8-6-4-7;/h7H,2-6H2,1H3;1H4
InChIKeyKRZWGAYBHXQRSI-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyloxane;methane?
The IUPAC name of 4-ethyloxane;methane (CID 142240463) is 4-ethyloxane;methane.
What is the SMILES notation for 4-ethyloxane;methane?
The canonical SMILES for 4-ethyloxane;methane is C.CCC1CCOCC1.
What is the InChIKey of 4-ethyloxane;methane?
The InChIKey is KRZWGAYBHXQRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.CH4/c1-2-7-3-5-8-6-4-7;/h7H,2-6H2,1H3;1H4.
What are the key properties of 4-ethyloxane;methane?
4-ethyloxane;methane has a molecular weight of 130.23 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyloxane;methane is sourced from PubChem (CID 142240463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).