CID 59602812

C12H38N2O7Si8 — CID 59602812

IUPAC—
SMILESC[Si](C)(C)O[Si](C)(C)O[Si](O[Si]O)([Si]O)[Si](O)([Si]O)[Si](C)(C)CCCNCCN
InChIInChI=1S/C12H38N2O7Si8/c1-25(2,3)20-27(6,7)21-29(24-17,19-22-15)28(18,23-16)26(4,5)12-8-10-14-11-9-13/h14-18H,8-13H2,1-7H3
InChIKeyWIPNHUISZQJLTF-UHFFFAOYSA-N
MW547.13 g/mol
LogP-1.50
Rot. Bonds16

About CID 59602812

CID 59602812 (PubChem CID 59602812) has the molecular formula C12H38N2O7Si8 and a molecular weight of 547.13 g/mol.

Molecular Properties

Compound NameCID 59602812
PubChem CID59602812
Molecular FormulaC12H38N2O7Si8
Molecular Weight547.13 g/mol
Exact Mass546.08
IUPAC Name—
SMILESC[Si](C)(C)O[Si](C)(C)O[Si](O[Si]O)([Si]O)[Si](O)([Si]O)[Si](C)(C)CCCNCCN
InChIInChI=1S/C12H38N2O7Si8/c1-25(2,3)20-27(6,7)21-29(24-17,19-22-15)28(18,23-16)26(4,5)12-8-10-14-11-9-13/h14-18H,8-13H2,1-7H3
InChIKeyWIPNHUISZQJLTF-UHFFFAOYSA-N
XLogP-1.50
TPSA146.66 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.13
LogP ≤ 5-1.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(hydroxy-trimethylsilyloxy-trimethylsilylperoxysilyl)propyl]ethane-1,2-diamine
CID 167605652
potassium N'-[3-[dihydroxy(methyl)silyl]propyl]ethane-1,2-diamine
CID 134692490
N'-[3-[[hydroxy(dimethyl)silyl]oxy-[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]ethane-1,2-diamine;methane
CID 158491492
CID 59904297
CID 59904297
N'-[3-[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]ethane-1,2-diamine
CID 59096415
propan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 175097855
N,N'-bis[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propyl]hexane-1,6-diamine
CID 102274168
N'-[3-[[[3-(2-aminoethylamino)propyl-diethoxysilyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propyl]ethane-1,2-diamine
CID 169060435
N'-[3-[[methoxy(dimethyl)silyl]oxy-[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]ethane-1,2-diamine
CID 156629335
N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine
CID 159586592
N'-[2-[2-(3-aminopropylamino)ethoxy-dimethylsilyl]oxyethyl]propane-1,3-diamine
CID 178166442
[acetyloxy-[3-(2-aminoethylamino)propyl]-methylsilyl] acetate
CID 87568873

Frequently Asked Questions

What is the IUPAC name of CID 59602812?
The IUPAC name of CID 59602812 (CID 59602812) is not available.
What is the SMILES notation for CID 59602812?
The canonical SMILES for CID 59602812 is C[Si](C)(C)O[Si](C)(C)O[Si](O[Si]O)([Si]O)[Si](O)([Si]O)[Si](C)(C)CCCNCCN.
What is the InChIKey of CID 59602812?
The InChIKey is WIPNHUISZQJLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H38N2O7Si8/c1-25(2,3)20-27(6,7)21-29(24-17,19-22-15)28(18,23-16)26(4,5)12-8-10-14-11-9-13/h14-18H,8-13H2,1-7H3.
What are the key properties of CID 59602812?
CID 59602812 has a molecular weight of 547.13 g/mol, XLogP of -1.50, 16 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59602812 is sourced from PubChem (CID 59602812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).