2-butyloxane

C9H18O — CID 12508241

IUPAC2-butyloxane
SMILESCCCCC1CCCCO1
InChIInChI=1S/C9H18O/c1-2-3-6-9-7-4-5-8-10-9/h9H,2-8H2,1H3
InChIKeyUDRQSYOGRUGDNA-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.75
Rot. Bonds3

About 2-butyloxane

2-butyloxane (PubChem CID 12508241) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2-butyloxane.

Molecular Properties

Compound Name2-butyloxane
PubChem CID12508241
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2-butyloxane
SMILESCCCCC1CCCCO1
InChIInChI=1S/C9H18O/c1-2-3-6-9-7-4-5-8-10-9/h9H,2-8H2,1H3
InChIKeyUDRQSYOGRUGDNA-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butyloxane?
The IUPAC name of 2-butyloxane (CID 12508241) is 2-butyloxane.
What is the SMILES notation for 2-butyloxane?
The canonical SMILES for 2-butyloxane is CCCCC1CCCCO1.
What is the InChIKey of 2-butyloxane?
The InChIKey is UDRQSYOGRUGDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-2-3-6-9-7-4-5-8-10-9/h9H,2-8H2,1H3.
What are the key properties of 2-butyloxane?
2-butyloxane has a molecular weight of 142.24 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyloxane is sourced from PubChem (CID 12508241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).