7-tert-butylspiro[3.5]nonane

C13H24 — CID 123908402

IUPAC7-tert-butylspiro[3.5]nonane
SMILESCC(C)(C)C1CCC2(CCC2)CC1
InChIInChI=1S/C13H24/c1-12(2,3)11-5-9-13(10-6-11)7-4-8-13/h11H,4-10H2,1-3H3
InChIKeyHBMDFOJGGHHXIV-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.39
Rot. Bonds

About 7-tert-butylspiro[3.5]nonane

7-tert-butylspiro[3.5]nonane (PubChem CID 123908402) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 7-tert-butylspiro[3.5]nonane.

Molecular Properties

Compound Name7-tert-butylspiro[3.5]nonane
PubChem CID123908402
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name7-tert-butylspiro[3.5]nonane
SMILESCC(C)(C)C1CCC2(CCC2)CC1
InChIInChI=1S/C13H24/c1-12(2,3)11-5-9-13(10-6-11)7-4-8-13/h11H,4-10H2,1-3H3
InChIKeyHBMDFOJGGHHXIV-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

12-tert-butyldispiro[5.2.59.26]hexadecane
CID 140778143
(3aR,6aS)-4'-tert-butylspiro[2,3,3a,4,6,6a-hexahydro-1H-pentalene-5,1'-cyclohexane]
CID 140778076
6-tert-butylspiro[2.4]heptane
CID 140640828
4-tert-butyl-1,1-dichlorocyclohexane
CID 10867528
4-tert-butyl-1-cyclopropylcyclohexane-1-carbaldehyde
CID 130647229
tert-butylcyclopentadecane
CID 164774831
1,4-ditert-butylcycloheptane
CID 58579546
tert-butylcyclopentane;tert-butylcyclopropane
CID 160905619
(6R)-6-tert-butyl-2-azaspiro[3.4]octane
CID 171594496
4-tert-butyl-1-cyclopentylcyclohexan-1-amine
CID 43809413
9-tert-butyl-1,5-dithiaspiro[5.5]undecane
CID 10999291
3-methylspiro[5.6]dodecane
CID 143797283

Frequently Asked Questions

What is the IUPAC name of 7-tert-butylspiro[3.5]nonane?
The IUPAC name of 7-tert-butylspiro[3.5]nonane (CID 123908402) is 7-tert-butylspiro[3.5]nonane.
What is the SMILES notation for 7-tert-butylspiro[3.5]nonane?
The canonical SMILES for 7-tert-butylspiro[3.5]nonane is CC(C)(C)C1CCC2(CCC2)CC1.
What is the InChIKey of 7-tert-butylspiro[3.5]nonane?
The InChIKey is HBMDFOJGGHHXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-12(2,3)11-5-9-13(10-6-11)7-4-8-13/h11H,4-10H2,1-3H3.
What are the key properties of 7-tert-butylspiro[3.5]nonane?
7-tert-butylspiro[3.5]nonane has a molecular weight of 180.33 g/mol, XLogP of 4.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butylspiro[3.5]nonane is sourced from PubChem (CID 123908402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).