2,6-ditert-butylspiro[3.3]heptane

C15H28 — CID 140647096

IUPAC2,6-ditert-butylspiro[3.3]heptane
SMILESCC(C)(C)C1CC2(C1)CC(C(C)(C)C)C2
InChIInChI=1S/C15H28/c1-13(2,3)11-7-15(8-11)9-12(10-15)14(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyLDXUOSDQDSMGHD-UHFFFAOYSA-N
MW208.39 g/mol
LogP4.89
Rot. Bonds

About 2,6-ditert-butylspiro[3.3]heptane

2,6-ditert-butylspiro[3.3]heptane (PubChem CID 140647096) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 2,6-ditert-butylspiro[3.3]heptane.

Molecular Properties

Compound Name2,6-ditert-butylspiro[3.3]heptane
PubChem CID140647096
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name2,6-ditert-butylspiro[3.3]heptane
SMILESCC(C)(C)C1CC2(C1)CC(C(C)(C)C)C2
InChIInChI=1S/C15H28/c1-13(2,3)11-7-15(8-11)9-12(10-15)14(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyLDXUOSDQDSMGHD-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.39
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-ditert-butylpiperazine;2,6-ditert-butylspiro[3.3]heptane
CID 159702523
2-tert-butyl-8,11-dioxadispiro[3.2.47.24]tridecane
CID 171768926
1-tert-butyl-3-(3-tert-butylcyclobutyl)cyclobutane;3,7-ditert-butylbicyclo[3.3.1]nonane;1,3-ditert-butylcyclobutane;2,6-ditert-butylspiro[3.3]heptane
CID 159792819
2-tert-butylspiro[3.5]nonan-7-ol
CID 171769059
6-tert-butylspiro[2.4]heptane
CID 140640828
2-tert-butyl-5,8-dioxaspiro[3.4]octane
CID 138672396
1-(2-tert-butylspiro[3.3]heptan-6-yl)prop-2-en-1-one
CID 90439930
3-tert-butyl-1,1-dimethylcyclobutane;1,1,4,4-tetramethylcyclohexane
CID 158072169
6-tert-butylspiro[3.3]heptane-2,2-dicarboxylic acid
CID 135274851
(3aR,6aS)-4'-tert-butylspiro[2,3,3a,4,6,6a-hexahydro-1H-pentalene-5,1'-cyclohexane]
CID 140778076
(6R)-6-tert-butyl-2-azaspiro[3.4]octane
CID 171594496
3-tert-butyl-1-cyclopropylcyclobutan-1-ol
CID 153289697

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butylspiro[3.3]heptane?
The IUPAC name of 2,6-ditert-butylspiro[3.3]heptane (CID 140647096) is 2,6-ditert-butylspiro[3.3]heptane.
What is the SMILES notation for 2,6-ditert-butylspiro[3.3]heptane?
The canonical SMILES for 2,6-ditert-butylspiro[3.3]heptane is CC(C)(C)C1CC2(C1)CC(C(C)(C)C)C2.
What is the InChIKey of 2,6-ditert-butylspiro[3.3]heptane?
The InChIKey is LDXUOSDQDSMGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-13(2,3)11-7-15(8-11)9-12(10-15)14(4,5)6/h11-12H,7-10H2,1-6H3.
What are the key properties of 2,6-ditert-butylspiro[3.3]heptane?
2,6-ditert-butylspiro[3.3]heptane has a molecular weight of 208.39 g/mol, XLogP of 4.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butylspiro[3.3]heptane is sourced from PubChem (CID 140647096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).