4-tert-butylspiro[4.4]nonane

C13H24 — CID 140778111

IUPAC4-tert-butylspiro[4.4]nonane
SMILESCC(C)(C)C1CCCC12CCCC2
InChIInChI=1S/C13H24/c1-12(2,3)11-7-6-10-13(11)8-4-5-9-13/h11H,4-10H2,1-3H3
InChIKeyCWPDJKZOKTYQQY-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.39
Rot. Bonds

About 4-tert-butylspiro[4.4]nonane

4-tert-butylspiro[4.4]nonane (PubChem CID 140778111) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 4-tert-butylspiro[4.4]nonane.

Molecular Properties

Compound Name4-tert-butylspiro[4.4]nonane
PubChem CID140778111
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name4-tert-butylspiro[4.4]nonane
SMILESCC(C)(C)C1CCCC12CCCC2
InChIInChI=1S/C13H24/c1-12(2,3)11-7-6-10-13(11)8-4-5-9-13/h11H,4-10H2,1-3H3
InChIKeyCWPDJKZOKTYQQY-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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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylspiro[4.4]nonane?
The IUPAC name of 4-tert-butylspiro[4.4]nonane (CID 140778111) is 4-tert-butylspiro[4.4]nonane.
What is the SMILES notation for 4-tert-butylspiro[4.4]nonane?
The canonical SMILES for 4-tert-butylspiro[4.4]nonane is CC(C)(C)C1CCCC12CCCC2.
What is the InChIKey of 4-tert-butylspiro[4.4]nonane?
The InChIKey is CWPDJKZOKTYQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-12(2,3)11-7-6-10-13(11)8-4-5-9-13/h11H,4-10H2,1-3H3.
What are the key properties of 4-tert-butylspiro[4.4]nonane?
4-tert-butylspiro[4.4]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 4-tert-butylspiro[4.4]nonane is sourced from PubChem (CID 140778111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).