non-1-ene;2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one

C22H36O2 — CID 174922524

IUPACnon-1-ene;2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one
SMILESC=CCCCCCCC.CC1=CCC2(O1)C(C)=CC(=O)CC2(C)C
InChIInChI=1S/C13H18O2.C9H18/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13;1-3-5-7-9-8-6-4-2/h5,7H,6,8H2,1-4H3;3H,1,4-9H2,2H3
InChIKeyYXOUTRHUCBWYNN-UHFFFAOYSA-N
MW332.53 g/mol
LogP6.53
Rot. Bonds6

About non-1-ene;2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one

non-1-ene;2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one (PubChem CID 174922524) has the molecular formula C22H36O2 and a molecular weight of 332.53 g/mol. Its IUPAC name is non-1-ene;2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one.

Molecular Properties

Compound Namenon-1-ene;2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one
PubChem CID174922524
Molecular FormulaC22H36O2
Molecular Weight332.53 g/mol
Exact Mass332.27
IUPAC Namenon-1-ene;2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one
SMILESC=CCCCCCCC.CC1=CCC2(O1)C(C)=CC(=O)CC2(C)C
InChIInChI=1S/C13H18O2.C9H18/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13;1-3-5-7-9-8-6-4-2/h5,7H,6,8H2,1-4H3;3H,1,4-9H2,2H3
InChIKeyYXOUTRHUCBWYNN-UHFFFAOYSA-N
XLogP6.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of non-1-ene;2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one?
The IUPAC name of non-1-ene;2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one (CID 174922524) is non-1-ene;2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one.
What is the SMILES notation for non-1-ene;2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one?
The canonical SMILES for non-1-ene;2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one is C=CCCCCCCC.CC1=CCC2(O1)C(C)=CC(=O)CC2(C)C.
What is the InChIKey of non-1-ene;2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one?
The InChIKey is YXOUTRHUCBWYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2.C9H18/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13;1-3-5-7-9-8-6-4-2/h5,7H,6,8H2,1-4H3;3H,1,4-9H2,2H3.
What are the key properties of non-1-ene;2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one?
non-1-ene;2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one has a molecular weight of 332.53 g/mol, XLogP of 6.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for non-1-ene;2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one is sourced from PubChem (CID 174922524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).