5,7,7-trimethoxynonan-4-one

C12H24O4 — CID 144905980

IUPAC5,7,7-trimethoxynonan-4-one
SMILESCCCC(=O)C(CC(CC)(OC)OC)OC
InChIInChI=1S/C12H24O4/c1-6-8-10(13)11(14-3)9-12(7-2,15-4)16-5/h11H,6-9H2,1-5H3
InChIKeyZWENJWBWFAUVCP-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.16
Rot. Bonds9

About 5,7,7-trimethoxynonan-4-one

5,7,7-trimethoxynonan-4-one (PubChem CID 144905980) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 5,7,7-trimethoxynonan-4-one.

Molecular Properties

Compound Name5,7,7-trimethoxynonan-4-one
PubChem CID144905980
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name5,7,7-trimethoxynonan-4-one
SMILESCCCC(=O)C(CC(CC)(OC)OC)OC
InChIInChI=1S/C12H24O4/c1-6-8-10(13)11(14-3)9-12(7-2,15-4)16-5/h11H,6-9H2,1-5H3
InChIKeyZWENJWBWFAUVCP-UHFFFAOYSA-N
XLogP2.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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3-(Ethoxymethoxy)octan-2-one
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3-(Methoxymethoxy)nonan-2-one
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CID 135065656
1,1-Dimethoxyoctan-2-one
CID 248332
3-Oxooctan-2-yl hydrogen carbonate
CID 17803096
1,1-Dimethoxydecan-2-one
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2-Methyl-2-(6-oxoheptoxy)oxetan-3-one
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Frequently Asked Questions

What is the IUPAC name of 5,7,7-trimethoxynonan-4-one?
The IUPAC name of 5,7,7-trimethoxynonan-4-one (CID 144905980) is 5,7,7-trimethoxynonan-4-one.
What is the SMILES notation for 5,7,7-trimethoxynonan-4-one?
The canonical SMILES for 5,7,7-trimethoxynonan-4-one is CCCC(=O)C(CC(CC)(OC)OC)OC.
What is the InChIKey of 5,7,7-trimethoxynonan-4-one?
The InChIKey is ZWENJWBWFAUVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-6-8-10(13)11(14-3)9-12(7-2,15-4)16-5/h11H,6-9H2,1-5H3.
What are the key properties of 5,7,7-trimethoxynonan-4-one?
5,7,7-trimethoxynonan-4-one has a molecular weight of 232.32 g/mol, XLogP of 2.16, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,7-trimethoxynonan-4-one is sourced from PubChem (CID 144905980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).