2,6-dimethyl-8-(oxan-2-yloxy)oct-1-en-3-one

C15H26O3 — CID 14168632

IUPAC2,6-dimethyl-8-(oxan-2-yloxy)oct-1-en-3-one
SMILESC=C(C)C(=O)CCC(C)CCOC1CCCCO1
InChIInChI=1S/C15H26O3/c1-12(2)14(16)8-7-13(3)9-11-18-15-6-4-5-10-17-15/h13,15H,1,4-11H2,2-3H3
InChIKeyHUCCIEYHPJZYDI-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.48
Rot. Bonds8

About 2,6-dimethyl-8-(oxan-2-yloxy)oct-1-en-3-one

2,6-dimethyl-8-(oxan-2-yloxy)oct-1-en-3-one (PubChem CID 14168632) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2,6-dimethyl-8-(oxan-2-yloxy)oct-1-en-3-one.

Molecular Properties

Compound Name2,6-dimethyl-8-(oxan-2-yloxy)oct-1-en-3-one
PubChem CID14168632
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name2,6-dimethyl-8-(oxan-2-yloxy)oct-1-en-3-one
SMILESC=C(C)C(=O)CCC(C)CCOC1CCCCO1
InChIInChI=1S/C15H26O3/c1-12(2)14(16)8-7-13(3)9-11-18-15-6-4-5-10-17-15/h13,15H,1,4-11H2,2-3H3
InChIKeyHUCCIEYHPJZYDI-UHFFFAOYSA-N
XLogP3.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[(4S)-2-methoxy-5-methylideneoxan-4-yl]butan-2-one
CID 15762053
[3-(3-Methyl-2-oxobut-3-enyl)oxan-2-yl] 2-methylprop-2-enoate
CID 129142709
3-(6-Ethyl-2,4-dimethoxy-5-methyloxan-3-yl)but-3-en-2-one
CID 129164516
2-Methyl-4-[2-[4-(triethoxymethyl)dodecoxy]ethyl]undec-1-en-3-one
CID 150972164
2-Methyl-5-(oxan-4-yl)pent-1-en-3-one
CID 157267218
(10S)-8-methyl-10-(oxan-2-yloxy)undec-1-en-6-one
CID 10423922
4-[(2S,4S)-2-methoxy-5-methylideneoxan-4-yl]butan-2-one
CID 10488184
4-[(2R,4S)-2-methoxy-5-methylideneoxan-4-yl]butan-2-one
CID 10631817
4,4-dimethyl-2-[(2S)-2-methyl-4-(oxan-2-yloxy)butyl]cyclopent-2-en-1-one
CID 10684176

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-8-(oxan-2-yloxy)oct-1-en-3-one?
The IUPAC name of 2,6-dimethyl-8-(oxan-2-yloxy)oct-1-en-3-one (CID 14168632) is 2,6-dimethyl-8-(oxan-2-yloxy)oct-1-en-3-one.
What is the SMILES notation for 2,6-dimethyl-8-(oxan-2-yloxy)oct-1-en-3-one?
The canonical SMILES for 2,6-dimethyl-8-(oxan-2-yloxy)oct-1-en-3-one is C=C(C)C(=O)CCC(C)CCOC1CCCCO1.
What is the InChIKey of 2,6-dimethyl-8-(oxan-2-yloxy)oct-1-en-3-one?
The InChIKey is HUCCIEYHPJZYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-12(2)14(16)8-7-13(3)9-11-18-15-6-4-5-10-17-15/h13,15H,1,4-11H2,2-3H3.
What are the key properties of 2,6-dimethyl-8-(oxan-2-yloxy)oct-1-en-3-one?
2,6-dimethyl-8-(oxan-2-yloxy)oct-1-en-3-one has a molecular weight of 254.37 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-8-(oxan-2-yloxy)oct-1-en-3-one is sourced from PubChem (CID 14168632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).