1-(6-methoxyoxan-2-yl)-5-trimethylsilylpentan-2-one;2-methylpropane;4-trimethylsilylbutanal

C25H54O4Si2 — CID 157437078

IUPAC1-(6-methoxyoxan-2-yl)-5-trimethylsilylpentan-2-one;2-methylpropane;4-trimethylsilylbutanal
SMILESCC(C)C.COC1CCCC(CC(=O)CCC[Si](C)(C)C)O1.C[Si](C)(C)CCCC=O
InChIInChI=1S/C14H28O3Si.C7H16OSi.C4H10/c1-16-14-9-5-8-13(17-14)11-12(15)7-6-10-18(2,3)4;1-9(2,3)7-5-4-6-8;1-4(2)3/h13-14H,5-11H2,1-4H3;6H,4-5,7H2,1-3H3;4H,1-3H3
InChIKeyBRFRAMUWVLYTOO-UHFFFAOYSA-N
MW474.88 g/mol
LogP7.57
Rot. Bonds11

About 1-(6-methoxyoxan-2-yl)-5-trimethylsilylpentan-2-one;2-methylpropane;4-trimethylsilylbutanal

1-(6-methoxyoxan-2-yl)-5-trimethylsilylpentan-2-one;2-methylpropane;4-trimethylsilylbutanal (PubChem CID 157437078) has the molecular formula C25H54O4Si2 and a molecular weight of 474.88 g/mol. Its IUPAC name is 1-(6-methoxyoxan-2-yl)-5-trimethylsilylpentan-2-one;2-methylpropane;4-trimethylsilylbutanal.

Molecular Properties

Compound Name1-(6-methoxyoxan-2-yl)-5-trimethylsilylpentan-2-one;2-methylpropane;4-trimethylsilylbutanal
PubChem CID157437078
Molecular FormulaC25H54O4Si2
Molecular Weight474.88 g/mol
Exact Mass474.36
IUPAC Name1-(6-methoxyoxan-2-yl)-5-trimethylsilylpentan-2-one;2-methylpropane;4-trimethylsilylbutanal
SMILESCC(C)C.COC1CCCC(CC(=O)CCC[Si](C)(C)C)O1.C[Si](C)(C)CCCC=O
InChIInChI=1S/C14H28O3Si.C7H16OSi.C4H10/c1-16-14-9-5-8-13(17-14)11-12(15)7-6-10-18(2,3)4;1-9(2,3)7-5-4-6-8;1-4(2)3/h13-14H,5-11H2,1-4H3;6H,4-5,7H2,1-3H3;4H,1-3H3
InChIKeyBRFRAMUWVLYTOO-UHFFFAOYSA-N
XLogP7.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.88
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxyoxan-2-yl)-5-trimethylsilylpentan-2-one;2-methylpropane;4-trimethylsilylbutanal?
The IUPAC name of 1-(6-methoxyoxan-2-yl)-5-trimethylsilylpentan-2-one;2-methylpropane;4-trimethylsilylbutanal (CID 157437078) is 1-(6-methoxyoxan-2-yl)-5-trimethylsilylpentan-2-one;2-methylpropane;4-trimethylsilylbutanal.
What is the SMILES notation for 1-(6-methoxyoxan-2-yl)-5-trimethylsilylpentan-2-one;2-methylpropane;4-trimethylsilylbutanal?
The canonical SMILES for 1-(6-methoxyoxan-2-yl)-5-trimethylsilylpentan-2-one;2-methylpropane;4-trimethylsilylbutanal is CC(C)C.COC1CCCC(CC(=O)CCC[Si](C)(C)C)O1.C[Si](C)(C)CCCC=O.
What is the InChIKey of 1-(6-methoxyoxan-2-yl)-5-trimethylsilylpentan-2-one;2-methylpropane;4-trimethylsilylbutanal?
The InChIKey is BRFRAMUWVLYTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si.C7H16OSi.C4H10/c1-16-14-9-5-8-13(17-14)11-12(15)7-6-10-18(2,3)4;1-9(2,3)7-5-4-6-8;1-4(2)3/h13-14H,5-11H2,1-4H3;6H,4-5,7H2,1-3H3;4H,1-3H3.
What are the key properties of 1-(6-methoxyoxan-2-yl)-5-trimethylsilylpentan-2-one;2-methylpropane;4-trimethylsilylbutanal?
1-(6-methoxyoxan-2-yl)-5-trimethylsilylpentan-2-one;2-methylpropane;4-trimethylsilylbutanal has a molecular weight of 474.88 g/mol, XLogP of 7.57, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxyoxan-2-yl)-5-trimethylsilylpentan-2-one;2-methylpropane;4-trimethylsilylbutanal is sourced from PubChem (CID 157437078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).