triethylsilyl N-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl]-N-methylcarbamate

C18H41NO4Si2 — CID 140591113

IUPACtriethylsilyl N-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl]-N-methylcarbamate
SMILESCCO[Si](C)(CCCN(C)C(=O)O[Si](CC)(CC)CC)OC(C)CC
InChIInChI=1S/C18H41NO4Si2/c1-9-17(6)22-24(8,21-10-2)16-14-15-19(7)18(20)23-25(11-3,12-4)13-5/h17H,9-16H2,1-8H3
InChIKeyKHOSRVUCQCMGKN-UHFFFAOYSA-N
MW391.70 g/mol
LogP5.37
Rot. Bonds13

About triethylsilyl N-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl]-N-methylcarbamate

triethylsilyl N-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl]-N-methylcarbamate (PubChem CID 140591113) has the molecular formula C18H41NO4Si2 and a molecular weight of 391.70 g/mol. Its IUPAC name is triethylsilyl N-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl]-N-methylcarbamate.

Molecular Properties

Compound Nametriethylsilyl N-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl]-N-methylcarbamate
PubChem CID140591113
Molecular FormulaC18H41NO4Si2
Molecular Weight391.70 g/mol
Exact Mass391.26
IUPAC Nametriethylsilyl N-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl]-N-methylcarbamate
SMILESCCO[Si](C)(CCCN(C)C(=O)O[Si](CC)(CC)CC)OC(C)CC
InChIInChI=1S/C18H41NO4Si2/c1-9-17(6)22-24(8,21-10-2)16-14-15-19(7)18(20)23-25(11-3,12-4)13-5/h17H,9-16H2,1-8H3
InChIKeyKHOSRVUCQCMGKN-UHFFFAOYSA-N
XLogP5.37
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.70
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethylsilyl N-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl]-N-methylcarbamate?
The IUPAC name of triethylsilyl N-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl]-N-methylcarbamate (CID 140591113) is triethylsilyl N-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl]-N-methylcarbamate.
What is the SMILES notation for triethylsilyl N-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl]-N-methylcarbamate?
The canonical SMILES for triethylsilyl N-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl]-N-methylcarbamate is CCO[Si](C)(CCCN(C)C(=O)O[Si](CC)(CC)CC)OC(C)CC.
What is the InChIKey of triethylsilyl N-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl]-N-methylcarbamate?
The InChIKey is KHOSRVUCQCMGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H41NO4Si2/c1-9-17(6)22-24(8,21-10-2)16-14-15-19(7)18(20)23-25(11-3,12-4)13-5/h17H,9-16H2,1-8H3.
What are the key properties of triethylsilyl N-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl]-N-methylcarbamate?
triethylsilyl N-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl]-N-methylcarbamate has a molecular weight of 391.70 g/mol, XLogP of 5.37, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsilyl N-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl]-N-methylcarbamate is sourced from PubChem (CID 140591113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).