2-tert-butylspiro[3.5]nonan-7-ol

C13H24O — CID 171769059

IUPAC2-tert-butylspiro[3.5]nonan-7-ol
SMILESCC(C)(C)C1CC2(CCC(O)CC2)C1
InChIInChI=1S/C13H24O/c1-12(2,3)10-8-13(9-10)6-4-11(14)5-7-13/h10-11,14H,4-9H2,1-3H3
InChIKeyHCYXGSUOSFUNQV-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.36
Rot. Bonds

About 2-tert-butylspiro[3.5]nonan-7-ol

2-tert-butylspiro[3.5]nonan-7-ol (PubChem CID 171769059) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 2-tert-butylspiro[3.5]nonan-7-ol.

Molecular Properties

Compound Name2-tert-butylspiro[3.5]nonan-7-ol
PubChem CID171769059
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name2-tert-butylspiro[3.5]nonan-7-ol
SMILESCC(C)(C)C1CC2(CCC(O)CC2)C1
InChIInChI=1S/C13H24O/c1-12(2,3)10-8-13(9-10)6-4-11(14)5-7-13/h10-11,14H,4-9H2,1-3H3
InChIKeyHCYXGSUOSFUNQV-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylspiro[3.5]nonan-7-ol?
The IUPAC name of 2-tert-butylspiro[3.5]nonan-7-ol (CID 171769059) is 2-tert-butylspiro[3.5]nonan-7-ol.
What is the SMILES notation for 2-tert-butylspiro[3.5]nonan-7-ol?
The canonical SMILES for 2-tert-butylspiro[3.5]nonan-7-ol is CC(C)(C)C1CC2(CCC(O)CC2)C1.
What is the InChIKey of 2-tert-butylspiro[3.5]nonan-7-ol?
The InChIKey is HCYXGSUOSFUNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-12(2,3)10-8-13(9-10)6-4-11(14)5-7-13/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 2-tert-butylspiro[3.5]nonan-7-ol?
2-tert-butylspiro[3.5]nonan-7-ol has a molecular weight of 196.33 g/mol, XLogP of 3.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylspiro[3.5]nonan-7-ol is sourced from PubChem (CID 171769059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).