CID 157191041

C36H72N2O6SSi2 — CID 157191041

IUPAC—
SMILESCC(C)[Si](C)(C)CCCCCCCCCCC(=O)O.CC(C)[Si](C)(C)CCCCCCCCCCC(=O)ON1C(=O)CCC1=O.N=S
InChIInChI=1S/C20H37NO4Si.C16H34O2Si.HNS/c1-17(2)26(3,4)16-12-10-8-6-5-7-9-11-13-20(24)25-21-18(22)14-15-19(21)23;1-15(2)19(3,4)14-12-10-8-6-5-7-9-11-13-16(17)18;1-2/h17H,5-16H2,1-4H3;15H,5-14H2,1-4H3,(H,17,18);1H
InChIKeyAPRTUVOJWOISOX-UHFFFAOYSA-N
MW717.22 g/mol
LogP11.22
Rot. Bonds25

About CID 157191041

CID 157191041 (PubChem CID 157191041) has the molecular formula C36H72N2O6SSi2 and a molecular weight of 717.22 g/mol.

Molecular Properties

Compound NameCID 157191041
PubChem CID157191041
Molecular FormulaC36H72N2O6SSi2
Molecular Weight717.22 g/mol
Exact Mass716.46
IUPAC Name—
SMILESCC(C)[Si](C)(C)CCCCCCCCCCC(=O)O.CC(C)[Si](C)(C)CCCCCCCCCCC(=O)ON1C(=O)CCC1=O.N=S
InChIInChI=1S/C20H37NO4Si.C16H34O2Si.HNS/c1-17(2)26(3,4)16-12-10-8-6-5-7-9-11-13-20(24)25-21-18(22)14-15-19(21)23;1-15(2)19(3,4)14-12-10-8-6-5-7-9-11-13-16(17)18;1-2/h17H,5-16H2,1-4H3;15H,5-14H2,1-4H3,(H,17,18);1H
InChIKeyAPRTUVOJWOISOX-UHFFFAOYSA-N
XLogP11.22
TPSA124.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds25
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.22
LogP ≤ 511.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

11-[dimethyl(propan-2-yl)silyl]-N-methylundecanamide;(2,5-dioxopyrrolidin-1-yl) 11-[dimethyl(propan-2-yl)silyl]undecanoate;methanamine;methane
CID 158726437
23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid
CID 155487576
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920
(2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate
CID 131750156
(2,5-dioxopyrrolidin-1-yl) 7-methoxyheptanoate
CID 90394451
(2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane
CID 156842096
(2S)-2-[[16-(2,5-dioxopyrrolidin-1-yl)oxy-16-oxohexadecanoyl]amino]pentanedioic acid
CID 175137846
1-O-tert-butyl 14-O-(2,5-dioxopyrrolidin-1-yl) tetradecanedioate
CID 87253097
1-O-tert-butyl 19-O-(2,5-dioxopyrrolidin-1-yl) nonadecanedioate
CID 133081009

Frequently Asked Questions

What is the IUPAC name of CID 157191041?
The IUPAC name of CID 157191041 (CID 157191041) is not available.
What is the SMILES notation for CID 157191041?
The canonical SMILES for CID 157191041 is CC(C)[Si](C)(C)CCCCCCCCCCC(=O)O.CC(C)[Si](C)(C)CCCCCCCCCCC(=O)ON1C(=O)CCC1=O.N=S.
What is the InChIKey of CID 157191041?
The InChIKey is APRTUVOJWOISOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO4Si.C16H34O2Si.HNS/c1-17(2)26(3,4)16-12-10-8-6-5-7-9-11-13-20(24)25-21-18(22)14-15-19(21)23;1-15(2)19(3,4)14-12-10-8-6-5-7-9-11-13-16(17)18;1-2/h17H,5-16H2,1-4H3;15H,5-14H2,1-4H3,(H,17,18);1H.
What are the key properties of CID 157191041?
CID 157191041 has a molecular weight of 717.22 g/mol, XLogP of 11.22, 25 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157191041 is sourced from PubChem (CID 157191041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).