(2R,6S)-2,6-bis(methoxymethoxy)non-8-en-4-one

C13H24O5 — CID 56946981

IUPAC(2R,6S)-2,6-bis(methoxymethoxy)non-8-en-4-one
SMILESC=CC[C@@H](CC(=O)C[C@@H](C)OCOC)OCOC
InChIInChI=1S/C13H24O5/c1-5-6-13(18-10-16-4)8-12(14)7-11(2)17-9-15-3/h5,11,13H,1,6-10H2,2-4H3/t11-,13+/m1/s1
InChIKeySUUSPPNOBGMLJF-YPMHNXCESA-N
MW260.33 g/mol
LogP1.91
Rot. Bonds12

About (2R,6S)-2,6-bis(methoxymethoxy)non-8-en-4-one

(2R,6S)-2,6-bis(methoxymethoxy)non-8-en-4-one (PubChem CID 56946981) has the molecular formula C13H24O5 and a molecular weight of 260.33 g/mol. Its IUPAC name is (2R,6S)-2,6-bis(methoxymethoxy)non-8-en-4-one.

Molecular Properties

Compound Name(2R,6S)-2,6-bis(methoxymethoxy)non-8-en-4-one
PubChem CID56946981
Molecular FormulaC13H24O5
Molecular Weight260.33 g/mol
Exact Mass260.16
IUPAC Name(2R,6S)-2,6-bis(methoxymethoxy)non-8-en-4-one
SMILESC=CC[C@@H](CC(=O)C[C@@H](C)OCOC)OCOC
InChIInChI=1S/C13H24O5/c1-5-6-13(18-10-16-4)8-12(14)7-11(2)17-9-15-3/h5,11,13H,1,6-10H2,2-4H3/t11-,13+/m1/s1
InChIKeySUUSPPNOBGMLJF-YPMHNXCESA-N
XLogP1.91
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-(methoxymethoxy)hepta-1,6-diene
CID 10331623
(3R)-3-(methoxymethoxy)butanoic acid
CID 10487007
(3R)-N,N-dibenzyl-3-(methoxymethoxy)hex-5-enamide
CID 50900870
[(2R,4S,6S)-2,6-bis(methoxymethoxy)non-8-en-4-yl]oxy-tert-butyl-dimethylsilane
CID 56946984
methyl 4-(methoxymethoxy)-2-oxopentanoate
CID 10655279
4-(methoxymethoxy)non-1-ene
CID 14592865
[(2R)-2-(methoxymethoxy)pent-4-enyl] benzoate
CID 121004547
(4R)-4-(methoxymethoxy)undec-1-ene
CID 102130866
2-(2-methoxyethoxymethoxy)pent-4-en-1-ol
CID 74389573
[(4R,6S)-6-(methoxymethoxy)hept-1-en-4-yl]oxymethylbenzene
CID 71496897
[(2S)-2-(methoxymethoxy)pent-4-enyl]benzene
CID 101457567
[(2R,6R)-6-(methoxymethoxy)oct-7-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 132582442

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-bis(methoxymethoxy)non-8-en-4-one?
The IUPAC name of (2R,6S)-2,6-bis(methoxymethoxy)non-8-en-4-one (CID 56946981) is (2R,6S)-2,6-bis(methoxymethoxy)non-8-en-4-one.
What is the SMILES notation for (2R,6S)-2,6-bis(methoxymethoxy)non-8-en-4-one?
The canonical SMILES for (2R,6S)-2,6-bis(methoxymethoxy)non-8-en-4-one is C=CC[C@@H](CC(=O)C[C@@H](C)OCOC)OCOC.
What is the InChIKey of (2R,6S)-2,6-bis(methoxymethoxy)non-8-en-4-one?
The InChIKey is SUUSPPNOBGMLJF-YPMHNXCESA-N. The full InChI is InChI=1S/C13H24O5/c1-5-6-13(18-10-16-4)8-12(14)7-11(2)17-9-15-3/h5,11,13H,1,6-10H2,2-4H3/t11-,13+/m1/s1.
What are the key properties of (2R,6S)-2,6-bis(methoxymethoxy)non-8-en-4-one?
(2R,6S)-2,6-bis(methoxymethoxy)non-8-en-4-one has a molecular weight of 260.33 g/mol, XLogP of 1.91, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-bis(methoxymethoxy)non-8-en-4-one is sourced from PubChem (CID 56946981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).