7-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-6-hydroxyhept-1-en-3-one;N-[3-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-N-methylprop-2-enamide

C48H113NO14Si10 — CID 160758382

IUPAC7-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-6-hydroxyhept-1-en-3-one;N-[3-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-N-methylprop-2-enamide
SMILESC=CC(=O)CCC(O)COCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC.C=CC(=O)N(C)CC(O)COCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC
InChIInChI=1S/C24H57NO7Si5.C24H56O7Si5/c1-14-16-19-33(4,5)29-35(8,9)31-37(12,13)32-36(10,11)30-34(6,7)20-17-18-28-22-23(26)21-25(3)24(27)15-2;1-13-15-20-32(3,4)28-34(7,8)30-36(11,12)31-35(9,10)29-33(5,6)21-16-19-27-22-24(26)18-17-23(25)14-2/h15,23,26H,2,14,16-22H2,1,3-13H3;14,24,26H,2,13,15-22H2,1,3-12H3
InChIKeyRXSQDSMNFYGBPZ-UHFFFAOYSA-N
MW1209.28 g/mol
LogP12.45
Rot. Bonds41

About 7-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-6-hydroxyhept-1-en-3-one;N-[3-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-N-methylprop-2-enamide

7-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-6-hydroxyhept-1-en-3-one;N-[3-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-N-methylprop-2-enamide (PubChem CID 160758382) has the molecular formula C48H113NO14Si10 and a molecular weight of 1209.28 g/mol. Its IUPAC name is 7-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-6-hydroxyhept-1-en-3-one;N-[3-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name7-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-6-hydroxyhept-1-en-3-one;N-[3-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-N-methylprop-2-enamide
PubChem CID160758382
Molecular FormulaC48H113NO14Si10
Molecular Weight1209.28 g/mol
Exact Mass1207.59
IUPAC Name7-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-6-hydroxyhept-1-en-3-one;N-[3-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-N-methylprop-2-enamide
SMILESC=CC(=O)CCC(O)COCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC.C=CC(=O)N(C)CC(O)COCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC
InChIInChI=1S/C24H57NO7Si5.C24H56O7Si5/c1-14-16-19-33(4,5)29-35(8,9)31-37(12,13)32-36(10,11)30-34(6,7)20-17-18-28-22-23(26)21-25(3)24(27)15-2;1-13-15-20-32(3,4)28-34(7,8)30-36(11,12)31-35(9,10)29-33(5,6)21-16-19-27-22-24(26)18-17-23(25)14-2/h15,23,26H,2,14,16-22H2,1,3-13H3;14,24,26H,2,13,15-22H2,1,3-12H3
InChIKeyRXSQDSMNFYGBPZ-UHFFFAOYSA-N
XLogP12.45
TPSA170.14 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds41
Heavy Atoms73
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001209.28
LogP ≤ 512.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 7-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-6-hydroxyhept-1-en-3-one;N-[3-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-N-methylprop-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-6-hydroxyhept-1-en-3-one;N-[3-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-N-methylprop-2-enamide?
The IUPAC name of 7-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-6-hydroxyhept-1-en-3-one;N-[3-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-N-methylprop-2-enamide (CID 160758382) is 7-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-6-hydroxyhept-1-en-3-one;N-[3-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-N-methylprop-2-enamide.
What is the SMILES notation for 7-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-6-hydroxyhept-1-en-3-one;N-[3-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-N-methylprop-2-enamide?
The canonical SMILES for 7-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-6-hydroxyhept-1-en-3-one;N-[3-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-N-methylprop-2-enamide is C=CC(=O)CCC(O)COCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC.C=CC(=O)N(C)CC(O)COCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC.
What is the InChIKey of 7-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-6-hydroxyhept-1-en-3-one;N-[3-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-N-methylprop-2-enamide?
The InChIKey is RXSQDSMNFYGBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H57NO7Si5.C24H56O7Si5/c1-14-16-19-33(4,5)29-35(8,9)31-37(12,13)32-36(10,11)30-34(6,7)20-17-18-28-22-23(26)21-25(3)24(27)15-2;1-13-15-20-32(3,4)28-34(7,8)30-36(11,12)31-35(9,10)29-33(5,6)21-16-19-27-22-24(26)18-17-23(25)14-2/h15,23,26H,2,14,16-22H2,1,3-13H3;14,24,26H,2,13,15-22H2,1,3-12H3.
What are the key properties of 7-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-6-hydroxyhept-1-en-3-one;N-[3-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-N-methylprop-2-enamide?
7-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-6-hydroxyhept-1-en-3-one;N-[3-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-N-methylprop-2-enamide has a molecular weight of 1209.28 g/mol, XLogP of 12.45, 41 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-6-hydroxyhept-1-en-3-one;N-[3-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-N-methylprop-2-enamide is sourced from PubChem (CID 160758382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).