2-butyl-4-oxaspiro[2.5]octane;methane

C12H24O — CID 155748864

IUPAC2-butyl-4-oxaspiro[2.5]octane;methane
SMILESC.CCCCC1CC12CCCCO2
InChIInChI=1S/C11H20O.CH4/c1-2-3-6-10-9-11(10)7-4-5-8-12-11;/h10H,2-9H2,1H3;1H4
InChIKeyUFDAZTSLQKCWKM-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.77
Rot. Bonds3

About 2-butyl-4-oxaspiro[2.5]octane;methane

2-butyl-4-oxaspiro[2.5]octane;methane (PubChem CID 155748864) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2-butyl-4-oxaspiro[2.5]octane;methane.

Molecular Properties

Compound Name2-butyl-4-oxaspiro[2.5]octane;methane
PubChem CID155748864
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2-butyl-4-oxaspiro[2.5]octane;methane
SMILESC.CCCCC1CC12CCCCO2
InChIInChI=1S/C11H20O.CH4/c1-2-3-6-10-9-11(10)7-4-5-8-12-11;/h10H,2-9H2,1H3;1H4
InChIKeyUFDAZTSLQKCWKM-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-oxaspiro[2.5]octane;methane?
The IUPAC name of 2-butyl-4-oxaspiro[2.5]octane;methane (CID 155748864) is 2-butyl-4-oxaspiro[2.5]octane;methane.
What is the SMILES notation for 2-butyl-4-oxaspiro[2.5]octane;methane?
The canonical SMILES for 2-butyl-4-oxaspiro[2.5]octane;methane is C.CCCCC1CC12CCCCO2.
What is the InChIKey of 2-butyl-4-oxaspiro[2.5]octane;methane?
The InChIKey is UFDAZTSLQKCWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O.CH4/c1-2-3-6-10-9-11(10)7-4-5-8-12-11;/h10H,2-9H2,1H3;1H4.
What are the key properties of 2-butyl-4-oxaspiro[2.5]octane;methane?
2-butyl-4-oxaspiro[2.5]octane;methane has a molecular weight of 184.32 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-oxaspiro[2.5]octane;methane is sourced from PubChem (CID 155748864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).