butane;molecular oxygen

C4H10O2 — CID 131720182

IUPACbutane;molecular oxygen
SMILESCCCC.O=O
InChIInChI=1S/C4H10.O2/c1-3-4-2;1-2/h3-4H2,1-2H3;
InChIKeyDMATUJMIOGOVRA-UHFFFAOYSA-N
MW90.12 g/mol
LogP1.87
Rot. Bonds1

About butane;molecular oxygen

butane;molecular oxygen (PubChem CID 131720182) has the molecular formula C4H10O2 and a molecular weight of 90.12 g/mol. Its IUPAC name is butane;molecular oxygen.

Molecular Properties

Compound Namebutane;molecular oxygen
PubChem CID131720182
Molecular FormulaC4H10O2
Molecular Weight90.12 g/mol
Exact Mass90.07
IUPAC Namebutane;molecular oxygen
SMILESCCCC.O=O
InChIInChI=1S/C4H10.O2/c1-3-4-2;1-2/h3-4H2,1-2H3;
InChIKeyDMATUJMIOGOVRA-UHFFFAOYSA-N
XLogP1.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.12
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butane;molecular oxygen?
The IUPAC name of butane;molecular oxygen (CID 131720182) is butane;molecular oxygen.
What is the SMILES notation for butane;molecular oxygen?
The canonical SMILES for butane;molecular oxygen is CCCC.O=O.
What is the InChIKey of butane;molecular oxygen?
The InChIKey is DMATUJMIOGOVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.O2/c1-3-4-2;1-2/h3-4H2,1-2H3;.
What are the key properties of butane;molecular oxygen?
butane;molecular oxygen has a molecular weight of 90.12 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;molecular oxygen is sourced from PubChem (CID 131720182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).