3-methoxy-5,7-dimethyloctan-2-one

C11H22O2 — CID 87291206

IUPAC3-methoxy-5,7-dimethyloctan-2-one
SMILESCOC(CC(C)CC(C)C)C(C)=O
InChIInChI=1S/C11H22O2/c1-8(2)6-9(3)7-11(13-5)10(4)12/h8-9,11H,6-7H2,1-5H3
InChIKeyXTYQAHIIMFLAKQ-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.66
Rot. Bonds6

About 3-methoxy-5,7-dimethyloctan-2-one

3-methoxy-5,7-dimethyloctan-2-one (PubChem CID 87291206) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3-methoxy-5,7-dimethyloctan-2-one.

Molecular Properties

Compound Name3-methoxy-5,7-dimethyloctan-2-one
PubChem CID87291206
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3-methoxy-5,7-dimethyloctan-2-one
SMILESCOC(CC(C)CC(C)C)C(C)=O
InChIInChI=1S/C11H22O2/c1-8(2)6-9(3)7-11(13-5)10(4)12/h8-9,11H,6-7H2,1-5H3
InChIKeyXTYQAHIIMFLAKQ-UHFFFAOYSA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-methoxy-8-methylnonan-2-one
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3-methoxypentan-2-one
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2-methoxy-4-methylpentanamide
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3-methoxy-4,6-dimethylheptan-2-one
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CID 159455035
2,4,6,8,10,12,14,16,18,20-decamethylhenicosane
CID 123384520
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CID 134836322
2,6,8-trimethylnonan-4-yl hydrogen carbonate
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CID 45085639

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5,7-dimethyloctan-2-one?
The IUPAC name of 3-methoxy-5,7-dimethyloctan-2-one (CID 87291206) is 3-methoxy-5,7-dimethyloctan-2-one.
What is the SMILES notation for 3-methoxy-5,7-dimethyloctan-2-one?
The canonical SMILES for 3-methoxy-5,7-dimethyloctan-2-one is COC(CC(C)CC(C)C)C(C)=O.
What is the InChIKey of 3-methoxy-5,7-dimethyloctan-2-one?
The InChIKey is XTYQAHIIMFLAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-8(2)6-9(3)7-11(13-5)10(4)12/h8-9,11H,6-7H2,1-5H3.
What are the key properties of 3-methoxy-5,7-dimethyloctan-2-one?
3-methoxy-5,7-dimethyloctan-2-one has a molecular weight of 186.29 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5,7-dimethyloctan-2-one is sourced from PubChem (CID 87291206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).