1-(2,6-dimethyloxan-4-ylidene)propan-2-one

C10H16O2 — CID 22965738

IUPAC1-(2,6-dimethyloxan-4-ylidene)propan-2-one
SMILESCC(=O)C=C1CC(C)OC(C)C1
InChIInChI=1S/C10H16O2/c1-7(11)4-10-5-8(2)12-9(3)6-10/h4,8-9H,5-6H2,1-3H3
InChIKeyOTOYGFKXCHCTBZ-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.09
Rot. Bonds1

About 1-(2,6-dimethyloxan-4-ylidene)propan-2-one

1-(2,6-dimethyloxan-4-ylidene)propan-2-one (PubChem CID 22965738) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(2,6-dimethyloxan-4-ylidene)propan-2-one.

Molecular Properties

Compound Name1-(2,6-dimethyloxan-4-ylidene)propan-2-one
PubChem CID22965738
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-(2,6-dimethyloxan-4-ylidene)propan-2-one
SMILESCC(=O)C=C1CC(C)OC(C)C1
InChIInChI=1S/C10H16O2/c1-7(11)4-10-5-8(2)12-9(3)6-10/h4,8-9H,5-6H2,1-3H3
InChIKeyOTOYGFKXCHCTBZ-UHFFFAOYSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyloxan-4-ylidene)propan-2-one?
The IUPAC name of 1-(2,6-dimethyloxan-4-ylidene)propan-2-one (CID 22965738) is 1-(2,6-dimethyloxan-4-ylidene)propan-2-one.
What is the SMILES notation for 1-(2,6-dimethyloxan-4-ylidene)propan-2-one?
The canonical SMILES for 1-(2,6-dimethyloxan-4-ylidene)propan-2-one is CC(=O)C=C1CC(C)OC(C)C1.
What is the InChIKey of 1-(2,6-dimethyloxan-4-ylidene)propan-2-one?
The InChIKey is OTOYGFKXCHCTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7(11)4-10-5-8(2)12-9(3)6-10/h4,8-9H,5-6H2,1-3H3.
What are the key properties of 1-(2,6-dimethyloxan-4-ylidene)propan-2-one?
1-(2,6-dimethyloxan-4-ylidene)propan-2-one has a molecular weight of 168.24 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyloxan-4-ylidene)propan-2-one is sourced from PubChem (CID 22965738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).