butane;methoxymethane;propane

C9H24O — CID 87368535

IUPACbutane;methoxymethane;propane
SMILESCCC.CCCC.COC
InChIInChI=1S/C4H10.C3H8.C2H6O/c1-3-4-2;2*1-3-2/h3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyNXIQPLPKEWMKQE-UHFFFAOYSA-N
MW148.29 g/mol
LogP3.49
Rot. Bonds1

About butane;methoxymethane;propane

butane;methoxymethane;propane (PubChem CID 87368535) has the molecular formula C9H24O and a molecular weight of 148.29 g/mol. Its IUPAC name is butane;methoxymethane;propane.

Molecular Properties

Compound Namebutane;methoxymethane;propane
PubChem CID87368535
Molecular FormulaC9H24O
Molecular Weight148.29 g/mol
Exact Mass148.18
IUPAC Namebutane;methoxymethane;propane
SMILESCCC.CCCC.COC
InChIInChI=1S/C4H10.C3H8.C2H6O/c1-3-4-2;2*1-3-2/h3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyNXIQPLPKEWMKQE-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.29
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze butane;methoxymethane;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butane;methoxymethane;propane?
The IUPAC name of butane;methoxymethane;propane (CID 87368535) is butane;methoxymethane;propane.
What is the SMILES notation for butane;methoxymethane;propane?
The canonical SMILES for butane;methoxymethane;propane is CCC.CCCC.COC.
What is the InChIKey of butane;methoxymethane;propane?
The InChIKey is NXIQPLPKEWMKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C3H8.C2H6O/c1-3-4-2;2*1-3-2/h3-4H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of butane;methoxymethane;propane?
butane;methoxymethane;propane has a molecular weight of 148.29 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;methoxymethane;propane is sourced from PubChem (CID 87368535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).