3,7,9-trimethylspiro[4.5]dec-8-en-4-ol

C13H22O — CID 22935668

IUPAC3,7,9-trimethylspiro[4.5]dec-8-en-4-ol
SMILESCC1=CC(C)CC2(CCC(C)C2O)C1
InChIInChI=1S/C13H22O/c1-9-6-10(2)8-13(7-9)5-4-11(3)12(13)14/h6,9,11-12,14H,4-5,7-8H2,1-3H3
InChIKeyMZJIPGZFQKGKPH-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.14
Rot. Bonds

About 3,7,9-trimethylspiro[4.5]dec-8-en-4-ol

3,7,9-trimethylspiro[4.5]dec-8-en-4-ol (PubChem CID 22935668) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 3,7,9-trimethylspiro[4.5]dec-8-en-4-ol.

Molecular Properties

Compound Name3,7,9-trimethylspiro[4.5]dec-8-en-4-ol
PubChem CID22935668
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name3,7,9-trimethylspiro[4.5]dec-8-en-4-ol
SMILESCC1=CC(C)CC2(CCC(C)C2O)C1
InChIInChI=1S/C13H22O/c1-9-6-10(2)8-13(7-9)5-4-11(3)12(13)14/h6,9,11-12,14H,4-5,7-8H2,1-3H3
InChIKeyMZJIPGZFQKGKPH-UHFFFAOYSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,7,9-trimethylspiro[4.5]dec-8-en-4-ol?
The IUPAC name of 3,7,9-trimethylspiro[4.5]dec-8-en-4-ol (CID 22935668) is 3,7,9-trimethylspiro[4.5]dec-8-en-4-ol.
What is the SMILES notation for 3,7,9-trimethylspiro[4.5]dec-8-en-4-ol?
The canonical SMILES for 3,7,9-trimethylspiro[4.5]dec-8-en-4-ol is CC1=CC(C)CC2(CCC(C)C2O)C1.
What is the InChIKey of 3,7,9-trimethylspiro[4.5]dec-8-en-4-ol?
The InChIKey is MZJIPGZFQKGKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-9-6-10(2)8-13(7-9)5-4-11(3)12(13)14/h6,9,11-12,14H,4-5,7-8H2,1-3H3.
What are the key properties of 3,7,9-trimethylspiro[4.5]dec-8-en-4-ol?
3,7,9-trimethylspiro[4.5]dec-8-en-4-ol has a molecular weight of 194.32 g/mol, XLogP of 3.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,9-trimethylspiro[4.5]dec-8-en-4-ol is sourced from PubChem (CID 22935668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).