6,6,10-trimethyl-1-oxaspiro[4.5]dec-9-en-2-ol

C12H20O2 — CID 14086364

IUPAC6,6,10-trimethyl-1-oxaspiro[4.5]dec-9-en-2-ol
SMILESCC1=CCCC(C)(C)C12CCC(O)O2
InChIInChI=1S/C12H20O2/c1-9-5-4-7-11(2,3)12(9)8-6-10(13)14-12/h5,10,13H,4,6-8H2,1-3H3
InChIKeyLGGYUASMCMLPAR-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.62
Rot. Bonds

About 6,6,10-trimethyl-1-oxaspiro[4.5]dec-9-en-2-ol

6,6,10-trimethyl-1-oxaspiro[4.5]dec-9-en-2-ol (PubChem CID 14086364) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 6,6,10-trimethyl-1-oxaspiro[4.5]dec-9-en-2-ol.

Molecular Properties

Compound Name6,6,10-trimethyl-1-oxaspiro[4.5]dec-9-en-2-ol
PubChem CID14086364
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name6,6,10-trimethyl-1-oxaspiro[4.5]dec-9-en-2-ol
SMILESCC1=CCCC(C)(C)C12CCC(O)O2
InChIInChI=1S/C12H20O2/c1-9-5-4-7-11(2,3)12(9)8-6-10(13)14-12/h5,10,13H,4,6-8H2,1-3H3
InChIKeyLGGYUASMCMLPAR-UHFFFAOYSA-N
XLogP2.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6,6,10-trimethyl-1-oxaspiro[4.5]dec-9-en-2-ol?
The IUPAC name of 6,6,10-trimethyl-1-oxaspiro[4.5]dec-9-en-2-ol (CID 14086364) is 6,6,10-trimethyl-1-oxaspiro[4.5]dec-9-en-2-ol.
What is the SMILES notation for 6,6,10-trimethyl-1-oxaspiro[4.5]dec-9-en-2-ol?
The canonical SMILES for 6,6,10-trimethyl-1-oxaspiro[4.5]dec-9-en-2-ol is CC1=CCCC(C)(C)C12CCC(O)O2.
What is the InChIKey of 6,6,10-trimethyl-1-oxaspiro[4.5]dec-9-en-2-ol?
The InChIKey is LGGYUASMCMLPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-9-5-4-7-11(2,3)12(9)8-6-10(13)14-12/h5,10,13H,4,6-8H2,1-3H3.
What are the key properties of 6,6,10-trimethyl-1-oxaspiro[4.5]dec-9-en-2-ol?
6,6,10-trimethyl-1-oxaspiro[4.5]dec-9-en-2-ol has a molecular weight of 196.29 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,10-trimethyl-1-oxaspiro[4.5]dec-9-en-2-ol is sourced from PubChem (CID 14086364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).