3-hydroxy-7-methoxy-2,7-dimethyloctan-4-one

C11H22O3 — CID 103455135

IUPAC3-hydroxy-7-methoxy-2,7-dimethyloctan-4-one
SMILESCOC(C)(C)CCC(=O)C(O)C(C)C
InChIInChI=1S/C11H22O3/c1-8(2)10(13)9(12)6-7-11(3,4)14-5/h8,10,13H,6-7H2,1-5H3
InChIKeyDEOPDUAMFMVIRS-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.78
Rot. Bonds6

About 3-hydroxy-7-methoxy-2,7-dimethyloctan-4-one

3-hydroxy-7-methoxy-2,7-dimethyloctan-4-one (PubChem CID 103455135) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 3-hydroxy-7-methoxy-2,7-dimethyloctan-4-one.

Molecular Properties

Compound Name3-hydroxy-7-methoxy-2,7-dimethyloctan-4-one
PubChem CID103455135
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name3-hydroxy-7-methoxy-2,7-dimethyloctan-4-one
SMILESCOC(C)(C)CCC(=O)C(O)C(C)C
InChIInChI=1S/C11H22O3/c1-8(2)10(13)9(12)6-7-11(3,4)14-5/h8,10,13H,6-7H2,1-5H3
InChIKeyDEOPDUAMFMVIRS-UHFFFAOYSA-N
XLogP1.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-7-methoxy-2,2,7-trimethyloctan-4-one
CID 103035435
6-ethyl-2-methoxy-2-methyldecan-5-one
CID 103024705
2,7-dimethoxy-7-methyloctan-4-one
CID 103035419
5-methoxy-5-methyl-1-(2-methylpropylsulfanyl)hexan-2-one
CID 103035331
3-(3-methoxy-3-methylbutoxy)-3-methylbutan-2-one
CID 123396731
1-(dimethylamino)-5-methoxy-5-methylhexan-2-one
CID 103035375
3-ethyl-3-hydroxy-7-methoxy-7-methyloctan-4-one
CID 103446930
2,5-dimethoxy-2,5-dimethylhexane
CID 552009
3-(3-methoxy-3-methylbutoxy)butan-2-one
CID 58421308
ethyl 5-methoxy-2,5-dimethylhexanoate
CID 154290351
methyl 2-[(3-methoxy-3-methylbutyl)amino]propanoate
CID 103033239
1-ethoxy-6-methoxy-6-methylheptan-3-one
CID 103024480

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-7-methoxy-2,7-dimethyloctan-4-one?
The IUPAC name of 3-hydroxy-7-methoxy-2,7-dimethyloctan-4-one (CID 103455135) is 3-hydroxy-7-methoxy-2,7-dimethyloctan-4-one.
What is the SMILES notation for 3-hydroxy-7-methoxy-2,7-dimethyloctan-4-one?
The canonical SMILES for 3-hydroxy-7-methoxy-2,7-dimethyloctan-4-one is COC(C)(C)CCC(=O)C(O)C(C)C.
What is the InChIKey of 3-hydroxy-7-methoxy-2,7-dimethyloctan-4-one?
The InChIKey is DEOPDUAMFMVIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-8(2)10(13)9(12)6-7-11(3,4)14-5/h8,10,13H,6-7H2,1-5H3.
What are the key properties of 3-hydroxy-7-methoxy-2,7-dimethyloctan-4-one?
3-hydroxy-7-methoxy-2,7-dimethyloctan-4-one has a molecular weight of 202.29 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-7-methoxy-2,7-dimethyloctan-4-one is sourced from PubChem (CID 103455135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).