6-tert-butyl-6-methoxy-2-oxaspiro[3.3]heptane

C11H20O2 — CID 162475470

IUPAC6-tert-butyl-6-methoxy-2-oxaspiro[3.3]heptane
SMILESCOC1(C(C)(C)C)CC2(COC2)C1
InChIInChI=1S/C11H20O2/c1-9(2,3)11(12-4)5-10(6-11)7-13-8-10/h5-8H2,1-4H3
InChIKeyADGSYJDYLUFDSL-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.23
Rot. Bonds1

About 6-tert-butyl-6-methoxy-2-oxaspiro[3.3]heptane

6-tert-butyl-6-methoxy-2-oxaspiro[3.3]heptane (PubChem CID 162475470) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 6-tert-butyl-6-methoxy-2-oxaspiro[3.3]heptane.

Molecular Properties

Compound Name6-tert-butyl-6-methoxy-2-oxaspiro[3.3]heptane
PubChem CID162475470
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name6-tert-butyl-6-methoxy-2-oxaspiro[3.3]heptane
SMILESCOC1(C(C)(C)C)CC2(COC2)C1
InChIInChI=1S/C11H20O2/c1-9(2,3)11(12-4)5-10(6-11)7-13-8-10/h5-8H2,1-4H3
InChIKeyADGSYJDYLUFDSL-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-tert-butyl-6-methoxy-2-oxaspiro[3.3]heptane with MolForge

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

Launch Full Analysis

Related Compounds

6-methoxy-2-oxaspiro[3.3]heptane
CID 90127740
methyl 2-[3-(1-methoxy-2-methyl-1-oxopropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropanoate
CID 23135736
4-tert-butyl-3-methoxy-3-methyloxolane
CID 164933907
6-methoxy-6-(trifluoromethyl)-2-azaspiro[3.3]heptane
CID 139026461
3-bromo-3-tert-butyloxetane
CID 116876355
methyl 6-(aminomethyl)-2-oxaspiro[3.3]heptane-6-carboxylate
CID 167724073
N-tert-butyl-2-oxaspiro[3.5]nonan-7-amine
CID 139319990
(7R)-7-methyl-2,6-dioxa-9-azaspiro[3.6]decane
CID 170028194
methyl 2-oxaspiro[3.3]heptane-6-carboxylate
CID 135392775
ethane;6-methyl-2-oxaspiro[3.3]heptane
CID 144747206
3-methoxyoxetan-3-amine;hydrochloride
CID 175161306
3-tert-butyl-3-(trifluoromethyl)oxetane
CID 116875849

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-6-methoxy-2-oxaspiro[3.3]heptane?
The IUPAC name of 6-tert-butyl-6-methoxy-2-oxaspiro[3.3]heptane (CID 162475470) is 6-tert-butyl-6-methoxy-2-oxaspiro[3.3]heptane.
What is the SMILES notation for 6-tert-butyl-6-methoxy-2-oxaspiro[3.3]heptane?
The canonical SMILES for 6-tert-butyl-6-methoxy-2-oxaspiro[3.3]heptane is COC1(C(C)(C)C)CC2(COC2)C1.
What is the InChIKey of 6-tert-butyl-6-methoxy-2-oxaspiro[3.3]heptane?
The InChIKey is ADGSYJDYLUFDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-9(2,3)11(12-4)5-10(6-11)7-13-8-10/h5-8H2,1-4H3.
What are the key properties of 6-tert-butyl-6-methoxy-2-oxaspiro[3.3]heptane?
6-tert-butyl-6-methoxy-2-oxaspiro[3.3]heptane has a molecular weight of 184.28 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-6-methoxy-2-oxaspiro[3.3]heptane is sourced from PubChem (CID 162475470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).