N-butylformamide;2-methyl-2-propyloxasilinane

C13H29NO2Si — CID 88727082

IUPACN-butylformamide;2-methyl-2-propyloxasilinane
SMILESCCCCNC=O.CCC[Si]1(C)CCCCO1
InChIInChI=1S/C8H18OSi.C5H11NO/c1-3-7-10(2)8-5-4-6-9-10;1-2-3-4-6-5-7/h3-8H2,1-2H3;5H,2-4H2,1H3,(H,6,7)
InChIKeyUVCXZGXBRSMZDO-UHFFFAOYSA-N
MW259.47 g/mol
LogP3.31
Rot. Bonds6

About N-butylformamide;2-methyl-2-propyloxasilinane

N-butylformamide;2-methyl-2-propyloxasilinane (PubChem CID 88727082) has the molecular formula C13H29NO2Si and a molecular weight of 259.47 g/mol. Its IUPAC name is N-butylformamide;2-methyl-2-propyloxasilinane.

Molecular Properties

Compound NameN-butylformamide;2-methyl-2-propyloxasilinane
PubChem CID88727082
Molecular FormulaC13H29NO2Si
Molecular Weight259.47 g/mol
Exact Mass259.20
IUPAC NameN-butylformamide;2-methyl-2-propyloxasilinane
SMILESCCCCNC=O.CCC[Si]1(C)CCCCO1
InChIInChI=1S/C8H18OSi.C5H11NO/c1-3-7-10(2)8-5-4-6-9-10;1-2-3-4-6-5-7/h3-8H2,1-2H3;5H,2-4H2,1H3,(H,6,7)
InChIKeyUVCXZGXBRSMZDO-UHFFFAOYSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 N-butylformamide;2-methyl-2-propyloxasilinane?
The IUPAC name of N-butylformamide;2-methyl-2-propyloxasilinane (CID 88727082) is N-butylformamide;2-methyl-2-propyloxasilinane.
What is the SMILES notation for N-butylformamide;2-methyl-2-propyloxasilinane?
The canonical SMILES for N-butylformamide;2-methyl-2-propyloxasilinane is CCCCNC=O.CCC[Si]1(C)CCCCO1.
What is the InChIKey of N-butylformamide;2-methyl-2-propyloxasilinane?
The InChIKey is UVCXZGXBRSMZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OSi.C5H11NO/c1-3-7-10(2)8-5-4-6-9-10;1-2-3-4-6-5-7/h3-8H2,1-2H3;5H,2-4H2,1H3,(H,6,7).
What are the key properties of N-butylformamide;2-methyl-2-propyloxasilinane?
N-butylformamide;2-methyl-2-propyloxasilinane has a molecular weight of 259.47 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylformamide;2-methyl-2-propyloxasilinane is sourced from PubChem (CID 88727082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).