6-tert-butyl-1-oxaspiro[3.3]heptan-6-ol

C10H18O2 — CID 172542205

IUPAC6-tert-butyl-1-oxaspiro[3.3]heptan-6-ol
SMILESCC(C)(C)C1(O)CC2(CCO2)C1
InChIInChI=1S/C10H18O2/c1-8(2,3)10(11)6-9(7-10)4-5-12-9/h11H,4-7H2,1-3H3
InChIKeyPRRRSAOMPMKLBQ-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.72
Rot. Bonds

About 6-tert-butyl-1-oxaspiro[3.3]heptan-6-ol

6-tert-butyl-1-oxaspiro[3.3]heptan-6-ol (PubChem CID 172542205) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 6-tert-butyl-1-oxaspiro[3.3]heptan-6-ol.

Molecular Properties

Compound Name6-tert-butyl-1-oxaspiro[3.3]heptan-6-ol
PubChem CID172542205
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name6-tert-butyl-1-oxaspiro[3.3]heptan-6-ol
SMILESCC(C)(C)C1(O)CC2(CCO2)C1
InChIInChI=1S/C10H18O2/c1-8(2,3)10(11)6-9(7-10)4-5-12-9/h11H,4-7H2,1-3H3
InChIKeyPRRRSAOMPMKLBQ-UHFFFAOYSA-N
XLogP1.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-tert-butyl-1-oxaspiro[3.3]heptan-6-ol 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 6-tert-butyl-1-oxaspiro[3.3]heptan-6-ol?
The IUPAC name of 6-tert-butyl-1-oxaspiro[3.3]heptan-6-ol (CID 172542205) is 6-tert-butyl-1-oxaspiro[3.3]heptan-6-ol.
What is the SMILES notation for 6-tert-butyl-1-oxaspiro[3.3]heptan-6-ol?
The canonical SMILES for 6-tert-butyl-1-oxaspiro[3.3]heptan-6-ol is CC(C)(C)C1(O)CC2(CCO2)C1.
What is the InChIKey of 6-tert-butyl-1-oxaspiro[3.3]heptan-6-ol?
The InChIKey is PRRRSAOMPMKLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2,3)10(11)6-9(7-10)4-5-12-9/h11H,4-7H2,1-3H3.
What are the key properties of 6-tert-butyl-1-oxaspiro[3.3]heptan-6-ol?
6-tert-butyl-1-oxaspiro[3.3]heptan-6-ol has a molecular weight of 170.25 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-oxaspiro[3.3]heptan-6-ol is sourced from PubChem (CID 172542205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).