2,6,10-trimethyl-1-oxaspiro[4.5]dec-6-ene

C12H20O — CID 91497171

IUPAC2,6,10-trimethyl-1-oxaspiro[4.5]dec-6-ene
SMILESCC1=CCCC(C)C12CCC(C)O2
InChIInChI=1S/C12H20O/c1-9-5-4-6-10(2)12(9)8-7-11(3)13-12/h5,10-11H,4,6-8H2,1-3H3
InChIKeyFNRKJQAIISCPSN-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.30
Rot. Bonds

About 2,6,10-trimethyl-1-oxaspiro[4.5]dec-6-ene

2,6,10-trimethyl-1-oxaspiro[4.5]dec-6-ene (PubChem CID 91497171) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2,6,10-trimethyl-1-oxaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name2,6,10-trimethyl-1-oxaspiro[4.5]dec-6-ene
PubChem CID91497171
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2,6,10-trimethyl-1-oxaspiro[4.5]dec-6-ene
SMILESCC1=CCCC(C)C12CCC(C)O2
InChIInChI=1S/C12H20O/c1-9-5-4-6-10(2)12(9)8-7-11(3)13-12/h5,10-11H,4,6-8H2,1-3H3
InChIKeyFNRKJQAIISCPSN-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
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 2,6,10-trimethyl-1-oxaspiro[4.5]dec-6-ene?
The IUPAC name of 2,6,10-trimethyl-1-oxaspiro[4.5]dec-6-ene (CID 91497171) is 2,6,10-trimethyl-1-oxaspiro[4.5]dec-6-ene.
What is the SMILES notation for 2,6,10-trimethyl-1-oxaspiro[4.5]dec-6-ene?
The canonical SMILES for 2,6,10-trimethyl-1-oxaspiro[4.5]dec-6-ene is CC1=CCCC(C)C12CCC(C)O2.
What is the InChIKey of 2,6,10-trimethyl-1-oxaspiro[4.5]dec-6-ene?
The InChIKey is FNRKJQAIISCPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-9-5-4-6-10(2)12(9)8-7-11(3)13-12/h5,10-11H,4,6-8H2,1-3H3.
What are the key properties of 2,6,10-trimethyl-1-oxaspiro[4.5]dec-6-ene?
2,6,10-trimethyl-1-oxaspiro[4.5]dec-6-ene has a molecular weight of 180.29 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,10-trimethyl-1-oxaspiro[4.5]dec-6-ene is sourced from PubChem (CID 91497171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).