8-tert-butyl-8-methylspiro[4.5]decane

C15H28 — CID 59599278

IUPAC8-tert-butyl-8-methylspiro[4.5]decane
SMILESCC(C)(C)C1(C)CCC2(CCCC2)CC1
InChIInChI=1S/C15H28/c1-13(2,3)14(4)9-11-15(12-10-14)7-5-6-8-15/h5-12H2,1-4H3
InChIKeyWLSFXSQRPKREJO-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.17
Rot. Bonds

About 8-tert-butyl-8-methylspiro[4.5]decane

8-tert-butyl-8-methylspiro[4.5]decane (PubChem CID 59599278) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 8-tert-butyl-8-methylspiro[4.5]decane.

Molecular Properties

Compound Name8-tert-butyl-8-methylspiro[4.5]decane
PubChem CID59599278
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name8-tert-butyl-8-methylspiro[4.5]decane
SMILESCC(C)(C)C1(C)CCC2(CCCC2)CC1
InChIInChI=1S/C15H28/c1-13(2,3)14(4)9-11-15(12-10-14)7-5-6-8-15/h5-12H2,1-4H3
InChIKeyWLSFXSQRPKREJO-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-1-methylcyclopentane
CID 21351462
dispiro[2.2.46.23]dodecane
CID 123747481
spiro[2.4]heptane
CID 12657448
1-tert-butyl-1-methylcyclobutane;2-methylpropane
CID 178126062
4-tert-butyl-1,4-dimethylcyclohexan-1-ol
CID 167288502
spiro[2.7]decane
CID 12657449
spiro[2.4]heptane;spiro[3.4]octane
CID 145351897
12-tert-butyldispiro[5.2.59.26]hexadecane
CID 140778143
spiro[4.4]nonane
CID 90780660
spiro[2.6]nonane;hydrochloride
CID 141316852
1-tert-butyl-1-methylcyclopropane;3-tert-butyl-3-methyloxetane;methane;2,2,3,3-tetramethylbutane
CID 158339173
3-methylspiro[5.6]dodecane
CID 143797283

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-8-methylspiro[4.5]decane?
The IUPAC name of 8-tert-butyl-8-methylspiro[4.5]decane (CID 59599278) is 8-tert-butyl-8-methylspiro[4.5]decane.
What is the SMILES notation for 8-tert-butyl-8-methylspiro[4.5]decane?
The canonical SMILES for 8-tert-butyl-8-methylspiro[4.5]decane is CC(C)(C)C1(C)CCC2(CCCC2)CC1.
What is the InChIKey of 8-tert-butyl-8-methylspiro[4.5]decane?
The InChIKey is WLSFXSQRPKREJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-13(2,3)14(4)9-11-15(12-10-14)7-5-6-8-15/h5-12H2,1-4H3.
What are the key properties of 8-tert-butyl-8-methylspiro[4.5]decane?
8-tert-butyl-8-methylspiro[4.5]decane has a molecular weight of 208.39 g/mol, XLogP of 5.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-8-methylspiro[4.5]decane is sourced from PubChem (CID 59599278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).