3-ethyl-3-hydroxy-7-methoxy-7-methyloctan-4-one

C12H24O3 — CID 103446930

IUPAC3-ethyl-3-hydroxy-7-methoxy-7-methyloctan-4-one
SMILESCCC(O)(CC)C(=O)CCC(C)(C)OC
InChIInChI=1S/C12H24O3/c1-6-12(14,7-2)10(13)8-9-11(3,4)15-5/h14H,6-9H2,1-5H3
InChIKeyVPGIQVWJWSHJFI-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.31
Rot. Bonds7

About 3-ethyl-3-hydroxy-7-methoxy-7-methyloctan-4-one

3-ethyl-3-hydroxy-7-methoxy-7-methyloctan-4-one (PubChem CID 103446930) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-ethyl-3-hydroxy-7-methoxy-7-methyloctan-4-one.

Molecular Properties

Compound Name3-ethyl-3-hydroxy-7-methoxy-7-methyloctan-4-one
PubChem CID103446930
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name3-ethyl-3-hydroxy-7-methoxy-7-methyloctan-4-one
SMILESCCC(O)(CC)C(=O)CCC(C)(C)OC
InChIInChI=1S/C12H24O3/c1-6-12(14,7-2)10(13)8-9-11(3,4)15-5/h14H,6-9H2,1-5H3
InChIKeyVPGIQVWJWSHJFI-UHFFFAOYSA-N
XLogP2.31
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-1,1,1-trifluoro-5-hydroxyheptan-4-one
CID 103447033
5-ethyl-5-hydroxy-1-methoxyheptan-4-one
CID 103446928
1-ethoxy-6-methoxy-6-methylheptan-3-one
CID 103024480
8-methoxy-8-methylnonan-3-one
CID 103037503
1-(dimethylamino)-5-methoxy-5-methylhexan-2-one
CID 103035375
3-hydroxy-7-methoxy-2,7-dimethyloctan-4-one
CID 103455135
3-ethyl-3-hydroxydecan-4-one
CID 103446891
2,5-dimethoxy-2,5-dimethylhexane
CID 552009
(3-methoxy-3-methylbutyl) 2-(aminomethyl)-2-methylbutanoate
CID 106665977
3-ethoxy-7-methoxy-2,2,7-trimethyloctan-4-one
CID 103035435
5-methoxy-2,5-dimethylhexan-2-ol
CID 21053495
dimethyl butanedioate;2-methylbutan-2-ol
CID 174977208

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-hydroxy-7-methoxy-7-methyloctan-4-one?
The IUPAC name of 3-ethyl-3-hydroxy-7-methoxy-7-methyloctan-4-one (CID 103446930) is 3-ethyl-3-hydroxy-7-methoxy-7-methyloctan-4-one.
What is the SMILES notation for 3-ethyl-3-hydroxy-7-methoxy-7-methyloctan-4-one?
The canonical SMILES for 3-ethyl-3-hydroxy-7-methoxy-7-methyloctan-4-one is CCC(O)(CC)C(=O)CCC(C)(C)OC.
What is the InChIKey of 3-ethyl-3-hydroxy-7-methoxy-7-methyloctan-4-one?
The InChIKey is VPGIQVWJWSHJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-6-12(14,7-2)10(13)8-9-11(3,4)15-5/h14H,6-9H2,1-5H3.
What are the key properties of 3-ethyl-3-hydroxy-7-methoxy-7-methyloctan-4-one?
3-ethyl-3-hydroxy-7-methoxy-7-methyloctan-4-one has a molecular weight of 216.32 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-hydroxy-7-methoxy-7-methyloctan-4-one is sourced from PubChem (CID 103446930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).