6-methoxy-2-methyloctan-3-one

C10H20O2 — CID 168936546

IUPAC6-methoxy-2-methyloctan-3-one
SMILESCCC(CCC(=O)C(C)C)OC
InChIInChI=1S/C10H20O2/c1-5-9(12-4)6-7-10(11)8(2)3/h8-9H,5-7H2,1-4H3
InChIKeyJUNBFERCAROSPC-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.42
Rot. Bonds6

About 6-methoxy-2-methyloctan-3-one

6-methoxy-2-methyloctan-3-one (PubChem CID 168936546) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 6-methoxy-2-methyloctan-3-one.

Molecular Properties

Compound Name6-methoxy-2-methyloctan-3-one
PubChem CID168936546
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name6-methoxy-2-methyloctan-3-one
SMILESCCC(CCC(=O)C(C)C)OC
InChIInChI=1S/C10H20O2/c1-5-9(12-4)6-7-10(11)8(2)3/h8-9H,5-7H2,1-4H3
InChIKeyJUNBFERCAROSPC-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-2-methylideneheptanoic acid
CID 23448523
6-hydroxy-2-methyloctan-3-one
CID 79429661
methyl (2S)-2-amino-6-methyl-5-oxoheptanoate
CID 58666346
3-methoxybutyl acetate;3-methoxypentyl acetate
CID 160531415
(6S)-2,6-dimethyldecan-3-one
CID 71584493
(2R)-2-(4-methyl-3-oxopentyl)butanedioic acid
CID 88992958
(2R,6R)-2-hydroxy-6-methoxyoctan-4-one
CID 101412951
2-methoxy-6-methylheptan-3-one
CID 79617250
(2S)-2,6-dimethyl-5-oxoheptanal
CID 10511104
1,1-dimethoxy-5-methylhexan-2-one
CID 79493204
4-hydroxy-2,8-dimethylnonane-3,7-dione
CID 58193316
4-amino-2,8-dimethylnonane-3,7-dione
CID 90394699

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyloctan-3-one?
The IUPAC name of 6-methoxy-2-methyloctan-3-one (CID 168936546) is 6-methoxy-2-methyloctan-3-one.
What is the SMILES notation for 6-methoxy-2-methyloctan-3-one?
The canonical SMILES for 6-methoxy-2-methyloctan-3-one is CCC(CCC(=O)C(C)C)OC.
What is the InChIKey of 6-methoxy-2-methyloctan-3-one?
The InChIKey is JUNBFERCAROSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-9(12-4)6-7-10(11)8(2)3/h8-9H,5-7H2,1-4H3.
What are the key properties of 6-methoxy-2-methyloctan-3-one?
6-methoxy-2-methyloctan-3-one has a molecular weight of 172.27 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyloctan-3-one is sourced from PubChem (CID 168936546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).