7-diphenylsilyl-7-dodecylsilyl-N,N-diethylheptanamide

C35H59NOSi2 — CID 175084907

IUPAC7-diphenylsilyl-7-dodecylsilyl-N,N-diethylheptanamide
SMILESCCCCCCCCCCCC[SiH2]C(CCCCCC(=O)N(CC)CC)[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C35H59NOSi2/c1-4-7-8-9-10-11-12-13-14-24-31-38-35(30-23-17-22-29-34(37)36(5-2)6-3)39(32-25-18-15-19-26-32)33-27-20-16-21-28-33/h15-16,18-21,25-28,35,39H,4-14,17,22-24,29-31,38H2,1-3H3
InChIKeyIXRTYUWLIAFVIV-UHFFFAOYSA-N
MW566.04 g/mol
LogP7.68
Rot. Bonds23

About 7-diphenylsilyl-7-dodecylsilyl-N,N-diethylheptanamide

7-diphenylsilyl-7-dodecylsilyl-N,N-diethylheptanamide (PubChem CID 175084907) has the molecular formula C35H59NOSi2 and a molecular weight of 566.04 g/mol. Its IUPAC name is 7-diphenylsilyl-7-dodecylsilyl-N,N-diethylheptanamide.

Molecular Properties

Compound Name7-diphenylsilyl-7-dodecylsilyl-N,N-diethylheptanamide
PubChem CID175084907
Molecular FormulaC35H59NOSi2
Molecular Weight566.04 g/mol
Exact Mass565.41
IUPAC Name7-diphenylsilyl-7-dodecylsilyl-N,N-diethylheptanamide
SMILESCCCCCCCCCCCC[SiH2]C(CCCCCC(=O)N(CC)CC)[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C35H59NOSi2/c1-4-7-8-9-10-11-12-13-14-24-31-38-35(30-23-17-22-29-34(37)36(5-2)6-3)39(32-25-18-15-19-26-32)33-27-20-16-21-28-33/h15-16,18-21,25-28,35,39H,4-14,17,22-24,29-31,38H2,1-3H3
InChIKeyIXRTYUWLIAFVIV-UHFFFAOYSA-N
XLogP7.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.04
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 7-diphenylsilyl-7-dodecylsilyl-N,N-diethylheptanamide?
The IUPAC name of 7-diphenylsilyl-7-dodecylsilyl-N,N-diethylheptanamide (CID 175084907) is 7-diphenylsilyl-7-dodecylsilyl-N,N-diethylheptanamide.
What is the SMILES notation for 7-diphenylsilyl-7-dodecylsilyl-N,N-diethylheptanamide?
The canonical SMILES for 7-diphenylsilyl-7-dodecylsilyl-N,N-diethylheptanamide is CCCCCCCCCCCC[SiH2]C(CCCCCC(=O)N(CC)CC)[SiH](c1ccccc1)c1ccccc1.
What is the InChIKey of 7-diphenylsilyl-7-dodecylsilyl-N,N-diethylheptanamide?
The InChIKey is IXRTYUWLIAFVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H59NOSi2/c1-4-7-8-9-10-11-12-13-14-24-31-38-35(30-23-17-22-29-34(37)36(5-2)6-3)39(32-25-18-15-19-26-32)33-27-20-16-21-28-33/h15-16,18-21,25-28,35,39H,4-14,17,22-24,29-31,38H2,1-3H3.
What are the key properties of 7-diphenylsilyl-7-dodecylsilyl-N,N-diethylheptanamide?
7-diphenylsilyl-7-dodecylsilyl-N,N-diethylheptanamide has a molecular weight of 566.04 g/mol, XLogP of 7.68, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-diphenylsilyl-7-dodecylsilyl-N,N-diethylheptanamide is sourced from PubChem (CID 175084907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).