2,2-ditert-butylspiro[3.5]nonane

C17H32 — CID 155618656

IUPAC2,2-ditert-butylspiro[3.5]nonane
SMILESCC(C)(C)C1(C(C)(C)C)CC2(CCCCC2)C1
InChIInChI=1S/C17H32/c1-14(2,3)17(15(4,5)6)12-16(13-17)10-8-7-9-11-16/h7-13H2,1-6H3
InChIKeyFFWMJMLKNMJFEG-UHFFFAOYSA-N
MW236.44 g/mol
LogP5.81
Rot. Bonds

About 2,2-ditert-butylspiro[3.5]nonane

2,2-ditert-butylspiro[3.5]nonane (PubChem CID 155618656) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 2,2-ditert-butylspiro[3.5]nonane.

Molecular Properties

Compound Name2,2-ditert-butylspiro[3.5]nonane
PubChem CID155618656
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name2,2-ditert-butylspiro[3.5]nonane
SMILESCC(C)(C)C1(C(C)(C)C)CC2(CCCCC2)C1
InChIInChI=1S/C17H32/c1-14(2,3)17(15(4,5)6)12-16(13-17)10-8-7-9-11-16/h7-13H2,1-6H3
InChIKeyFFWMJMLKNMJFEG-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

12-tert-butyldispiro[5.2.59.26]hexadecane
CID 140778143
8-tert-butyl-8-methylspiro[4.5]decane
CID 59599278
3-(2,2-dimethylpropyl)spiro[5.5]undecane
CID 140695301
spiro[2.7]decane
CID 12657449
1-tert-butylcyclooctan-1-ol
CID 12697683
spiro[5.5]undecane-2,2,4,4-tetrol
CID 140976072
1-tert-butyl-1-fluorocyclohexane
CID 13144920
spiro[4.4]nonane
CID 90780660
3-tert-butyl-4-methylspiro[5.6]dodecane
CID 158157061
ethane;2-methylspiro[3.5]nonane
CID 164868147
1-tert-butyl-1-(1-tert-butylcyclohexyl)sulfanylcyclohexane
CID 174736367
3-methylspiro[5.6]dodecane
CID 143797283

Frequently Asked Questions

What is the IUPAC name of 2,2-ditert-butylspiro[3.5]nonane?
The IUPAC name of 2,2-ditert-butylspiro[3.5]nonane (CID 155618656) is 2,2-ditert-butylspiro[3.5]nonane.
What is the SMILES notation for 2,2-ditert-butylspiro[3.5]nonane?
The canonical SMILES for 2,2-ditert-butylspiro[3.5]nonane is CC(C)(C)C1(C(C)(C)C)CC2(CCCCC2)C1.
What is the InChIKey of 2,2-ditert-butylspiro[3.5]nonane?
The InChIKey is FFWMJMLKNMJFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-14(2,3)17(15(4,5)6)12-16(13-17)10-8-7-9-11-16/h7-13H2,1-6H3.
What are the key properties of 2,2-ditert-butylspiro[3.5]nonane?
2,2-ditert-butylspiro[3.5]nonane has a molecular weight of 236.44 g/mol, XLogP of 5.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-ditert-butylspiro[3.5]nonane is sourced from PubChem (CID 155618656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).