6-methoxy-2-methylhexan-3-one

C8H16O2 — CID 28541

IUPAC6-methoxy-2-methylhexan-3-one
SMILESCOCCCC(=O)C(C)C
InChIInChI=1S/C8H16O2/c1-7(2)8(9)5-4-6-10-3/h7H,4-6H2,1-3H3
InChIKeyDKSVJNVVHZQCEX-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.64
Rot. Bonds5

About 6-methoxy-2-methylhexan-3-one

6-methoxy-2-methylhexan-3-one (PubChem CID 28541) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 6-methoxy-2-methylhexan-3-one.

Molecular Properties

Compound Name6-methoxy-2-methylhexan-3-one
PubChem CID28541
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name6-methoxy-2-methylhexan-3-one
SMILESCOCCCC(=O)C(C)C
InChIInChI=1S/C8H16O2/c1-7(2)8(9)5-4-6-10-3/h7H,4-6H2,1-3H3
InChIKeyDKSVJNVVHZQCEX-UHFFFAOYSA-N
XLogP1.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methoxy-5-methylhexane-2,4-dione
CID 10012154
1-(2,2-Dimethyltetrahydro-2H-pyran-4-yl)ethan-1-one
CID 3749982
6,6,6-Trifluoro-5-(methoxymethyl)-2-methylhexan-3-one
CID 132243521
5-Methoxy-4-methylpentan-2-one
CID 20235373
1-Methoxy-2-methylhexan-3-one
CID 21739198
1-Methoxy-5-methylhexan-2-one
CID 54102695
1-Methoxy-4-methylhexan-3-one
CID 57871911
1-Methoxy-5-methylhexan-3-one
CID 59000991
4-(Methoxymethyl)hexan-2-one
CID 59855036
3-Ethyl-5-methoxypentan-2-one
CID 61000571
1-Methoxy-7-methyloctan-4-one
CID 62620268
2-Methyl-6-propoxyhexan-3-one
CID 79570675

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methylhexan-3-one?
The IUPAC name of 6-methoxy-2-methylhexan-3-one (CID 28541) is 6-methoxy-2-methylhexan-3-one.
What is the SMILES notation for 6-methoxy-2-methylhexan-3-one?
The canonical SMILES for 6-methoxy-2-methylhexan-3-one is COCCCC(=O)C(C)C.
What is the InChIKey of 6-methoxy-2-methylhexan-3-one?
The InChIKey is DKSVJNVVHZQCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-7(2)8(9)5-4-6-10-3/h7H,4-6H2,1-3H3.
What are the key properties of 6-methoxy-2-methylhexan-3-one?
6-methoxy-2-methylhexan-3-one has a molecular weight of 144.21 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methylhexan-3-one is sourced from PubChem (CID 28541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).