3-[(dimethylamino)methyl]-5-methylhexan-2-one;trimethyl(5-methylhex-2-en-2-yloxy)silane

C20H43NO2Si — CID 161161111

IUPAC3-[(dimethylamino)methyl]-5-methylhexan-2-one;trimethyl(5-methylhex-2-en-2-yloxy)silane
SMILESCC(=CCC(C)C)O[Si](C)(C)C.CC(=O)C(CC(C)C)CN(C)C
InChIInChI=1S/C10H21NO.C10H22OSi/c1-8(2)6-10(9(3)12)7-11(4)5;1-9(2)7-8-10(3)11-12(4,5)6/h8,10H,6-7H2,1-5H3;8-9H,7H2,1-6H3
InChIKeyUPXYMUMHURZRTI-UHFFFAOYSA-N
MW357.66 g/mol
LogP5.59
Rot. Bonds9

About 3-[(dimethylamino)methyl]-5-methylhexan-2-one;trimethyl(5-methylhex-2-en-2-yloxy)silane

3-[(dimethylamino)methyl]-5-methylhexan-2-one;trimethyl(5-methylhex-2-en-2-yloxy)silane (PubChem CID 161161111) has the molecular formula C20H43NO2Si and a molecular weight of 357.66 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-5-methylhexan-2-one;trimethyl(5-methylhex-2-en-2-yloxy)silane.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-5-methylhexan-2-one;trimethyl(5-methylhex-2-en-2-yloxy)silane
PubChem CID161161111
Molecular FormulaC20H43NO2Si
Molecular Weight357.66 g/mol
Exact Mass357.31
IUPAC Name3-[(dimethylamino)methyl]-5-methylhexan-2-one;trimethyl(5-methylhex-2-en-2-yloxy)silane
SMILESCC(=CCC(C)C)O[Si](C)(C)C.CC(=O)C(CC(C)C)CN(C)C
InChIInChI=1S/C10H21NO.C10H22OSi/c1-8(2)6-10(9(3)12)7-11(4)5;1-9(2)7-8-10(3)11-12(4,5)6/h8,10H,6-7H2,1-5H3;8-9H,7H2,1-6H3
InChIKeyUPXYMUMHURZRTI-UHFFFAOYSA-N
XLogP5.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.66
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-5-methylhexan-2-one;trimethyl(5-methylhex-2-en-2-yloxy)silane?
The IUPAC name of 3-[(dimethylamino)methyl]-5-methylhexan-2-one;trimethyl(5-methylhex-2-en-2-yloxy)silane (CID 161161111) is 3-[(dimethylamino)methyl]-5-methylhexan-2-one;trimethyl(5-methylhex-2-en-2-yloxy)silane.
What is the SMILES notation for 3-[(dimethylamino)methyl]-5-methylhexan-2-one;trimethyl(5-methylhex-2-en-2-yloxy)silane?
The canonical SMILES for 3-[(dimethylamino)methyl]-5-methylhexan-2-one;trimethyl(5-methylhex-2-en-2-yloxy)silane is CC(=CCC(C)C)O[Si](C)(C)C.CC(=O)C(CC(C)C)CN(C)C.
What is the InChIKey of 3-[(dimethylamino)methyl]-5-methylhexan-2-one;trimethyl(5-methylhex-2-en-2-yloxy)silane?
The InChIKey is UPXYMUMHURZRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.C10H22OSi/c1-8(2)6-10(9(3)12)7-11(4)5;1-9(2)7-8-10(3)11-12(4,5)6/h8,10H,6-7H2,1-5H3;8-9H,7H2,1-6H3.
What are the key properties of 3-[(dimethylamino)methyl]-5-methylhexan-2-one;trimethyl(5-methylhex-2-en-2-yloxy)silane?
3-[(dimethylamino)methyl]-5-methylhexan-2-one;trimethyl(5-methylhex-2-en-2-yloxy)silane has a molecular weight of 357.66 g/mol, XLogP of 5.59, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-5-methylhexan-2-one;trimethyl(5-methylhex-2-en-2-yloxy)silane is sourced from PubChem (CID 161161111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).