butane;methoxymethane

C6H16O — CID 19607350

IUPACbutane;methoxymethane
SMILESCCCC.COC
InChIInChI=1S/C4H10.C2H6O/c1-3-4-2;1-3-2/h3-4H2,1-2H3;1-2H3
InChIKeyYKEDLGCBPOWJRY-UHFFFAOYSA-N
MW104.19 g/mol
LogP2.07
Rot. Bonds1

About butane;methoxymethane

butane;methoxymethane (PubChem CID 19607350) has the molecular formula C6H16O and a molecular weight of 104.19 g/mol. Its IUPAC name is butane;methoxymethane.

Molecular Properties

Compound Namebutane;methoxymethane
PubChem CID19607350
Molecular FormulaC6H16O
Molecular Weight104.19 g/mol
Exact Mass104.12
IUPAC Namebutane;methoxymethane
SMILESCCCC.COC
InChIInChI=1S/C4H10.C2H6O/c1-3-4-2;1-3-2/h3-4H2,1-2H3;1-2H3
InChIKeyYKEDLGCBPOWJRY-UHFFFAOYSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.19
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butane;methoxymethane?
The IUPAC name of butane;methoxymethane (CID 19607350) is butane;methoxymethane.
What is the SMILES notation for butane;methoxymethane?
The canonical SMILES for butane;methoxymethane is CCCC.COC.
What is the InChIKey of butane;methoxymethane?
The InChIKey is YKEDLGCBPOWJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C2H6O/c1-3-4-2;1-3-2/h3-4H2,1-2H3;1-2H3.
What are the key properties of butane;methoxymethane?
butane;methoxymethane has a molecular weight of 104.19 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;methoxymethane is sourced from PubChem (CID 19607350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).