4-butyl-4-methyloxane

C10H20O — CID 23388827

IUPAC4-butyl-4-methyloxane
SMILESCCCCC1(C)CCOCC1
InChIInChI=1S/C10H20O/c1-3-4-5-10(2)6-8-11-9-7-10/h3-9H2,1-2H3
InChIKeyJCZBNDNYEJPMCQ-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.99
Rot. Bonds3

About 4-butyl-4-methyloxane

4-butyl-4-methyloxane (PubChem CID 23388827) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 4-butyl-4-methyloxane.

Molecular Properties

Compound Name4-butyl-4-methyloxane
PubChem CID23388827
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name4-butyl-4-methyloxane
SMILESCCCCC1(C)CCOCC1
InChIInChI=1S/C10H20O/c1-3-4-5-10(2)6-8-11-9-7-10/h3-9H2,1-2H3
InChIKeyJCZBNDNYEJPMCQ-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-4-methyloxane?
The IUPAC name of 4-butyl-4-methyloxane (CID 23388827) is 4-butyl-4-methyloxane.
What is the SMILES notation for 4-butyl-4-methyloxane?
The canonical SMILES for 4-butyl-4-methyloxane is CCCCC1(C)CCOCC1.
What is the InChIKey of 4-butyl-4-methyloxane?
The InChIKey is JCZBNDNYEJPMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-3-4-5-10(2)6-8-11-9-7-10/h3-9H2,1-2H3.
What are the key properties of 4-butyl-4-methyloxane?
4-butyl-4-methyloxane has a molecular weight of 156.27 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-4-methyloxane is sourced from PubChem (CID 23388827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).