2,6-dimethyl-9-(2-methyl-1,3-dioxolan-2-yl)non-6-en-3-one

C15H26O3 — CID 71404461

IUPAC2,6-dimethyl-9-(2-methyl-1,3-dioxolan-2-yl)non-6-en-3-one
SMILESCC(=CCCC1(C)OCCO1)CCC(=O)C(C)C
InChIInChI=1S/C15H26O3/c1-12(2)14(16)8-7-13(3)6-5-9-15(4)17-10-11-18-15/h6,12H,5,7-11H2,1-4H3
InChIKeyGQDIFHSZOQDNDG-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.48
Rot. Bonds7

About 2,6-dimethyl-9-(2-methyl-1,3-dioxolan-2-yl)non-6-en-3-one

2,6-dimethyl-9-(2-methyl-1,3-dioxolan-2-yl)non-6-en-3-one (PubChem CID 71404461) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2,6-dimethyl-9-(2-methyl-1,3-dioxolan-2-yl)non-6-en-3-one.

Molecular Properties

Compound Name2,6-dimethyl-9-(2-methyl-1,3-dioxolan-2-yl)non-6-en-3-one
PubChem CID71404461
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name2,6-dimethyl-9-(2-methyl-1,3-dioxolan-2-yl)non-6-en-3-one
SMILESCC(=CCCC1(C)OCCO1)CCC(=O)C(C)C
InChIInChI=1S/C15H26O3/c1-12(2)14(16)8-7-13(3)6-5-9-15(4)17-10-11-18-15/h6,12H,5,7-11H2,1-4H3
InChIKeyGQDIFHSZOQDNDG-UHFFFAOYSA-N
XLogP3.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-dimethyl-9-(2-methyl-1,3-dioxolan-2-yl)non-6-en-3-one?
The IUPAC name of 2,6-dimethyl-9-(2-methyl-1,3-dioxolan-2-yl)non-6-en-3-one (CID 71404461) is 2,6-dimethyl-9-(2-methyl-1,3-dioxolan-2-yl)non-6-en-3-one.
What is the SMILES notation for 2,6-dimethyl-9-(2-methyl-1,3-dioxolan-2-yl)non-6-en-3-one?
The canonical SMILES for 2,6-dimethyl-9-(2-methyl-1,3-dioxolan-2-yl)non-6-en-3-one is CC(=CCCC1(C)OCCO1)CCC(=O)C(C)C.
What is the InChIKey of 2,6-dimethyl-9-(2-methyl-1,3-dioxolan-2-yl)non-6-en-3-one?
The InChIKey is GQDIFHSZOQDNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-12(2)14(16)8-7-13(3)6-5-9-15(4)17-10-11-18-15/h6,12H,5,7-11H2,1-4H3.
What are the key properties of 2,6-dimethyl-9-(2-methyl-1,3-dioxolan-2-yl)non-6-en-3-one?
2,6-dimethyl-9-(2-methyl-1,3-dioxolan-2-yl)non-6-en-3-one has a molecular weight of 254.37 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-9-(2-methyl-1,3-dioxolan-2-yl)non-6-en-3-one is sourced from PubChem (CID 71404461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).