1-butylazetidine;triethoxysilane

C13H31NO3Si — CID 173012120

IUPAC1-butylazetidine;triethoxysilane
SMILESCCCCN1CCC1.CCO[SiH](OCC)OCC
InChIInChI=1S/C7H15N.C6H16O3Si/c1-2-3-5-8-6-4-7-8;1-4-7-10(8-5-2)9-6-3/h2-7H2,1H3;10H,4-6H2,1-3H3
InChIKeyXVEDBOHLNMVFOV-UHFFFAOYSA-N
MW277.48 g/mol
LogP2.31
Rot. Bonds9

About 1-butylazetidine;triethoxysilane

1-butylazetidine;triethoxysilane (PubChem CID 173012120) has the molecular formula C13H31NO3Si and a molecular weight of 277.48 g/mol. Its IUPAC name is 1-butylazetidine;triethoxysilane.

Molecular Properties

Compound Name1-butylazetidine;triethoxysilane
PubChem CID173012120
Molecular FormulaC13H31NO3Si
Molecular Weight277.48 g/mol
Exact Mass277.21
IUPAC Name1-butylazetidine;triethoxysilane
SMILESCCCCN1CCC1.CCO[SiH](OCC)OCC
InChIInChI=1S/C7H15N.C6H16O3Si/c1-2-3-5-8-6-4-7-8;1-4-7-10(8-5-2)9-6-3/h2-7H2,1H3;10H,4-6H2,1-3H3
InChIKeyXVEDBOHLNMVFOV-UHFFFAOYSA-N
XLogP2.31
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-butylaziridine;triethoxysilane
CID 173013888
1-butylazetidine;ethane
CID 143628082
1-heptylazetidine
CID 134402356
1-butylpyrrolidine;diethoxysilane
CID 173014045
1,4,7,10-tetraheptyl-1,4,7,10-tetrazacyclotridecane
CID 24824731
1-butyl-4-(2-chloroethyl)-1,4-diazepane
CID 63387859
1-butylpiperidine;hexane;1-hexylpiperidine
CID 156727490
1-butylpyrrolidine;1,4-dioxane
CID 159502773
1-octylazonane
CID 20533821
1-dodecylazepane
CID 3366129
1-decylpiperidine
CID 4649960
1,4,8,11-tetrakis(2-ethoxyethyl)-1,4,8,11-tetrazacyclotetradecane
CID 10529041

Frequently Asked Questions

What is the IUPAC name of 1-butylazetidine;triethoxysilane?
The IUPAC name of 1-butylazetidine;triethoxysilane (CID 173012120) is 1-butylazetidine;triethoxysilane.
What is the SMILES notation for 1-butylazetidine;triethoxysilane?
The canonical SMILES for 1-butylazetidine;triethoxysilane is CCCCN1CCC1.CCO[SiH](OCC)OCC.
What is the InChIKey of 1-butylazetidine;triethoxysilane?
The InChIKey is XVEDBOHLNMVFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C6H16O3Si/c1-2-3-5-8-6-4-7-8;1-4-7-10(8-5-2)9-6-3/h2-7H2,1H3;10H,4-6H2,1-3H3.
What are the key properties of 1-butylazetidine;triethoxysilane?
1-butylazetidine;triethoxysilane has a molecular weight of 277.48 g/mol, XLogP of 2.31, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylazetidine;triethoxysilane is sourced from PubChem (CID 173012120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).