7-tert-butyl-1-oxaspiro[3.5]nonane

C12H22O — CID 12552527

IUPAC7-tert-butyl-1-oxaspiro[3.5]nonane
SMILESCC(C)(C)C1CCC2(CCO2)CC1
InChIInChI=1S/C12H22O/c1-11(2,3)10-4-6-12(7-5-10)8-9-13-12/h10H,4-9H2,1-3H3
InChIKeyHUJTVNHEDODGKO-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.38
Rot. Bonds

About 7-tert-butyl-1-oxaspiro[3.5]nonane

7-tert-butyl-1-oxaspiro[3.5]nonane (PubChem CID 12552527) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 7-tert-butyl-1-oxaspiro[3.5]nonane.

Molecular Properties

Compound Name7-tert-butyl-1-oxaspiro[3.5]nonane
PubChem CID12552527
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name7-tert-butyl-1-oxaspiro[3.5]nonane
SMILESCC(C)(C)C1CCC2(CCO2)CC1
InChIInChI=1S/C12H22O/c1-11(2,3)10-4-6-12(7-5-10)8-9-13-12/h10H,4-9H2,1-3H3
InChIKeyHUJTVNHEDODGKO-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 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

Analyze 7-tert-butyl-1-oxaspiro[3.5]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-1-oxaspiro[3.5]nonane?
The IUPAC name of 7-tert-butyl-1-oxaspiro[3.5]nonane (CID 12552527) is 7-tert-butyl-1-oxaspiro[3.5]nonane.
What is the SMILES notation for 7-tert-butyl-1-oxaspiro[3.5]nonane?
The canonical SMILES for 7-tert-butyl-1-oxaspiro[3.5]nonane is CC(C)(C)C1CCC2(CCO2)CC1.
What is the InChIKey of 7-tert-butyl-1-oxaspiro[3.5]nonane?
The InChIKey is HUJTVNHEDODGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-11(2,3)10-4-6-12(7-5-10)8-9-13-12/h10H,4-9H2,1-3H3.
What are the key properties of 7-tert-butyl-1-oxaspiro[3.5]nonane?
7-tert-butyl-1-oxaspiro[3.5]nonane 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 7-tert-butyl-1-oxaspiro[3.5]nonane is sourced from PubChem (CID 12552527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).