1,1,2,2-tetramethyldispiro[2.0.54.43]tridecane

C17H30 — CID 140941144

IUPAC1,1,2,2-tetramethyldispiro[2.0.54.43]tridecane
SMILESCC1(C)C(C)(C)C12CCCCC21CCCCC1
InChIInChI=1S/C17H30/c1-14(2)15(3,4)17(14)13-9-8-12-16(17)10-6-5-7-11-16/h5-13H2,1-4H3
InChIKeyKBLCMFITJJGFNU-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.56
Rot. Bonds

About 1,1,2,2-tetramethyldispiro[2.0.54.43]tridecane

1,1,2,2-tetramethyldispiro[2.0.54.43]tridecane (PubChem CID 140941144) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 1,1,2,2-tetramethyldispiro[2.0.54.43]tridecane.

Molecular Properties

Compound Name1,1,2,2-tetramethyldispiro[2.0.54.43]tridecane
PubChem CID140941144
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name1,1,2,2-tetramethyldispiro[2.0.54.43]tridecane
SMILESCC1(C)C(C)(C)C12CCCCC21CCCCC1
InChIInChI=1S/C17H30/c1-14(2)15(3,4)17(14)13-9-8-12-16(17)10-6-5-7-11-16/h5-13H2,1-4H3
InChIKeyKBLCMFITJJGFNU-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1,1-dimethylcyclononane
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1,1-dimethylcyclohexane;methane
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2,2-dibromospiro[2.5]octane
CID 13462187
1-fluoro-1-methylcycloheptane
CID 57055784
1,1-dimethylcyclopentane;zinc
CID 174960258
1,1-dimethylcyclobutane;1,1-dimethylcyclopentane;1,1-dimethylcyclopropane
CID 158949227
CID 66890061
CID 66890061
1-methyl-1-(trideuteriomethyl)cyclohexane
CID 164729390

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetramethyldispiro[2.0.54.43]tridecane?
The IUPAC name of 1,1,2,2-tetramethyldispiro[2.0.54.43]tridecane (CID 140941144) is 1,1,2,2-tetramethyldispiro[2.0.54.43]tridecane.
What is the SMILES notation for 1,1,2,2-tetramethyldispiro[2.0.54.43]tridecane?
The canonical SMILES for 1,1,2,2-tetramethyldispiro[2.0.54.43]tridecane is CC1(C)C(C)(C)C12CCCCC21CCCCC1.
What is the InChIKey of 1,1,2,2-tetramethyldispiro[2.0.54.43]tridecane?
The InChIKey is KBLCMFITJJGFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-14(2)15(3,4)17(14)13-9-8-12-16(17)10-6-5-7-11-16/h5-13H2,1-4H3.
What are the key properties of 1,1,2,2-tetramethyldispiro[2.0.54.43]tridecane?
1,1,2,2-tetramethyldispiro[2.0.54.43]tridecane has a molecular weight of 234.43 g/mol, XLogP of 5.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetramethyldispiro[2.0.54.43]tridecane is sourced from PubChem (CID 140941144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).