9,9-dimethoxy-6-methylnonan-2-one

C12H24O3 — CID 14103320

IUPAC9,9-dimethoxy-6-methylnonan-2-one
SMILESCOC(CCC(C)CCCC(C)=O)OC
InChIInChI=1S/C12H24O3/c1-10(6-5-7-11(2)13)8-9-12(14-3)15-4/h10,12H,5-9H2,1-4H3
InChIKeyRSKRKAZFQPOJQZ-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.78
Rot. Bonds9

About 9,9-dimethoxy-6-methylnonan-2-one

9,9-dimethoxy-6-methylnonan-2-one (PubChem CID 14103320) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 9,9-dimethoxy-6-methylnonan-2-one.

Molecular Properties

Compound Name9,9-dimethoxy-6-methylnonan-2-one
PubChem CID14103320
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name9,9-dimethoxy-6-methylnonan-2-one
SMILESCOC(CCC(C)CCCC(C)=O)OC
InChIInChI=1S/C12H24O3/c1-10(6-5-7-11(2)13)8-9-12(14-3)15-4/h10,12H,5-9H2,1-4H3
InChIKeyRSKRKAZFQPOJQZ-UHFFFAOYSA-N
XLogP2.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6S)-6,10-dimethyltridecan-2-one
CID 87377837
6,10-dimethyldodecan-2-one
CID 14707953
methyl (5R)-5-methyl-8-oxononanoate
CID 56834727
7-methyldecan-2-one
CID 54155197
1,1,21,21-tetramethoxy-11-methylhenicosane
CID 151305042
8-methylundecan-2-one
CID 19847213
17-methylpentacosan-2-one
CID 57068605
6-methylnon-8-en-2-one
CID 87772414
3-methyloctane-2,7-dione
CID 13063377
5,9-dimethyl-11-sulfanylundecan-2-one
CID 121451514
8,10-dimethylundecan-2-one
CID 90238828
2-(3,3-dimethoxypropyl)propanedioic acid
CID 88660648

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethoxy-6-methylnonan-2-one?
The IUPAC name of 9,9-dimethoxy-6-methylnonan-2-one (CID 14103320) is 9,9-dimethoxy-6-methylnonan-2-one.
What is the SMILES notation for 9,9-dimethoxy-6-methylnonan-2-one?
The canonical SMILES for 9,9-dimethoxy-6-methylnonan-2-one is COC(CCC(C)CCCC(C)=O)OC.
What is the InChIKey of 9,9-dimethoxy-6-methylnonan-2-one?
The InChIKey is RSKRKAZFQPOJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-10(6-5-7-11(2)13)8-9-12(14-3)15-4/h10,12H,5-9H2,1-4H3.
What are the key properties of 9,9-dimethoxy-6-methylnonan-2-one?
9,9-dimethoxy-6-methylnonan-2-one has a molecular weight of 216.32 g/mol, XLogP of 2.78, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethoxy-6-methylnonan-2-one is sourced from PubChem (CID 14103320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).