6-tert-butyl-2-methyl-1-oxaspiro[2.5]octane

C12H22O — CID 13349188

IUPAC6-tert-butyl-2-methyl-1-oxaspiro[2.5]octane
SMILESCC1OC12CCC(C(C)(C)C)CC2
InChIInChI=1S/C12H22O/c1-9-12(13-9)7-5-10(6-8-12)11(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyAKRYEJCXLPADHH-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.38
Rot. Bonds

About 6-tert-butyl-2-methyl-1-oxaspiro[2.5]octane

6-tert-butyl-2-methyl-1-oxaspiro[2.5]octane (PubChem CID 13349188) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 6-tert-butyl-2-methyl-1-oxaspiro[2.5]octane.

Molecular Properties

Compound Name6-tert-butyl-2-methyl-1-oxaspiro[2.5]octane
PubChem CID13349188
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name6-tert-butyl-2-methyl-1-oxaspiro[2.5]octane
SMILESCC1OC12CCC(C(C)(C)C)CC2
InChIInChI=1S/C12H22O/c1-9-12(13-9)7-5-10(6-8-12)11(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyAKRYEJCXLPADHH-UHFFFAOYSA-N
XLogP3.38
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-methyl-1-oxaspiro[2.5]octane?
The IUPAC name of 6-tert-butyl-2-methyl-1-oxaspiro[2.5]octane (CID 13349188) is 6-tert-butyl-2-methyl-1-oxaspiro[2.5]octane.
What is the SMILES notation for 6-tert-butyl-2-methyl-1-oxaspiro[2.5]octane?
The canonical SMILES for 6-tert-butyl-2-methyl-1-oxaspiro[2.5]octane is CC1OC12CCC(C(C)(C)C)CC2.
What is the InChIKey of 6-tert-butyl-2-methyl-1-oxaspiro[2.5]octane?
The InChIKey is AKRYEJCXLPADHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-9-12(13-9)7-5-10(6-8-12)11(2,3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 6-tert-butyl-2-methyl-1-oxaspiro[2.5]octane?
6-tert-butyl-2-methyl-1-oxaspiro[2.5]octane has a molecular weight of 182.31 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-methyl-1-oxaspiro[2.5]octane is sourced from PubChem (CID 13349188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).