1,5-dimethoxy-6-methylheptan-4-one

C10H20O3 — CID 114854364

IUPAC1,5-dimethoxy-6-methylheptan-4-one
SMILESCOCCCC(=O)C(OC)C(C)C
InChIInChI=1S/C10H20O3/c1-8(2)10(13-4)9(11)6-5-7-12-3/h8,10H,5-7H2,1-4H3
InChIKeyNCKMUDRKNAXPCR-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.65
Rot. Bonds7

About 1,5-dimethoxy-6-methylheptan-4-one

1,5-dimethoxy-6-methylheptan-4-one (PubChem CID 114854364) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1,5-dimethoxy-6-methylheptan-4-one.

Molecular Properties

Compound Name1,5-dimethoxy-6-methylheptan-4-one
PubChem CID114854364
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name1,5-dimethoxy-6-methylheptan-4-one
SMILESCOCCCC(=O)C(OC)C(C)C
InChIInChI=1S/C10H20O3/c1-8(2)10(13-4)9(11)6-5-7-12-3/h8,10H,5-7H2,1-4H3
InChIKeyNCKMUDRKNAXPCR-UHFFFAOYSA-N
XLogP1.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-5-methylhexan-3-one
CID 83225971
3-methoxy-2-methyloct-7-yn-4-one
CID 116708427
4-methoxy-5-methyl-3-oxohexanoic acid
CID 134207966
2-(3-methoxypropoxy)-3-methylbutanoic acid
CID 60918161
1,8-dimethoxyoctane-4,5-dione
CID 139993978
2-amino-1-hydroxy-6-methoxyhexan-3-one;methane
CID 162214807
4-methoxybutanamide
CID 22414177
methyl 4-methoxybutanoate
CID 542317
4-methoxybutanamide;hydrochloride
CID 141117964
5-methoxy-1,1-diphenylpentan-2-one
CID 115601489
butan-2-yl 4-methoxybutanoate
CID 134215761
8-(2-methoxyethoxy)-2-methyloctan-3-one
CID 103413613

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethoxy-6-methylheptan-4-one?
The IUPAC name of 1,5-dimethoxy-6-methylheptan-4-one (CID 114854364) is 1,5-dimethoxy-6-methylheptan-4-one.
What is the SMILES notation for 1,5-dimethoxy-6-methylheptan-4-one?
The canonical SMILES for 1,5-dimethoxy-6-methylheptan-4-one is COCCCC(=O)C(OC)C(C)C.
What is the InChIKey of 1,5-dimethoxy-6-methylheptan-4-one?
The InChIKey is NCKMUDRKNAXPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-8(2)10(13-4)9(11)6-5-7-12-3/h8,10H,5-7H2,1-4H3.
What are the key properties of 1,5-dimethoxy-6-methylheptan-4-one?
1,5-dimethoxy-6-methylheptan-4-one has a molecular weight of 188.27 g/mol, XLogP of 1.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethoxy-6-methylheptan-4-one is sourced from PubChem (CID 114854364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).