3,3-dimethylspiro[3.5]non-1-en-2-ol

C11H18O — CID 171793118

IUPAC3,3-dimethylspiro[3.5]non-1-en-2-ol
SMILESCC1(C)C(O)=CC12CCCCC2
InChIInChI=1S/C11H18O/c1-10(2)9(12)8-11(10)6-4-3-5-7-11/h8,12H,3-7H2,1-2H3
InChIKeyQPGSHQJIDLHKON-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.42
Rot. Bonds

About 3,3-dimethylspiro[3.5]non-1-en-2-ol

3,3-dimethylspiro[3.5]non-1-en-2-ol (PubChem CID 171793118) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 3,3-dimethylspiro[3.5]non-1-en-2-ol.

Molecular Properties

Compound Name3,3-dimethylspiro[3.5]non-1-en-2-ol
PubChem CID171793118
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name3,3-dimethylspiro[3.5]non-1-en-2-ol
SMILESCC1(C)C(O)=CC12CCCCC2
InChIInChI=1S/C11H18O/c1-10(2)9(12)8-11(10)6-4-3-5-7-11/h8,12H,3-7H2,1-2H3
InChIKeyQPGSHQJIDLHKON-UHFFFAOYSA-N
XLogP3.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylspiro[3.5]non-1-en-2-ol?
The IUPAC name of 3,3-dimethylspiro[3.5]non-1-en-2-ol (CID 171793118) is 3,3-dimethylspiro[3.5]non-1-en-2-ol.
What is the SMILES notation for 3,3-dimethylspiro[3.5]non-1-en-2-ol?
The canonical SMILES for 3,3-dimethylspiro[3.5]non-1-en-2-ol is CC1(C)C(O)=CC12CCCCC2.
What is the InChIKey of 3,3-dimethylspiro[3.5]non-1-en-2-ol?
The InChIKey is QPGSHQJIDLHKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-10(2)9(12)8-11(10)6-4-3-5-7-11/h8,12H,3-7H2,1-2H3.
What are the key properties of 3,3-dimethylspiro[3.5]non-1-en-2-ol?
3,3-dimethylspiro[3.5]non-1-en-2-ol has a molecular weight of 166.26 g/mol, XLogP of 3.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylspiro[3.5]non-1-en-2-ol is sourced from PubChem (CID 171793118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).