2-(3-bromopropyl)-2-ethoxy-6-methyl-1,3,4,2-dioxazasilocane

C10H22BrNO3Si — CID 150976550

IUPAC2-(3-bromopropyl)-2-ethoxy-6-methyl-1,3,4,2-dioxazasilocane
SMILESCCO[Si]1(CCCBr)OCCC(C)CNO1
InChIInChI=1S/C10H22BrNO3Si/c1-3-13-16(8-4-6-11)14-7-5-10(2)9-12-15-16/h10,12H,3-9H2,1-2H3
InChIKeyLPFGVTYAWMFMQS-UHFFFAOYSA-N
MW312.28 g/mol
LogP2.32
Rot. Bonds5

About 2-(3-bromopropyl)-2-ethoxy-6-methyl-1,3,4,2-dioxazasilocane

2-(3-bromopropyl)-2-ethoxy-6-methyl-1,3,4,2-dioxazasilocane (PubChem CID 150976550) has the molecular formula C10H22BrNO3Si and a molecular weight of 312.28 g/mol. Its IUPAC name is 2-(3-bromopropyl)-2-ethoxy-6-methyl-1,3,4,2-dioxazasilocane.

Molecular Properties

Compound Name2-(3-bromopropyl)-2-ethoxy-6-methyl-1,3,4,2-dioxazasilocane
PubChem CID150976550
Molecular FormulaC10H22BrNO3Si
Molecular Weight312.28 g/mol
Exact Mass311.06
IUPAC Name2-(3-bromopropyl)-2-ethoxy-6-methyl-1,3,4,2-dioxazasilocane
SMILESCCO[Si]1(CCCBr)OCCC(C)CNO1
InChIInChI=1S/C10H22BrNO3Si/c1-3-13-16(8-4-6-11)14-7-5-10(2)9-12-15-16/h10,12H,3-9H2,1-2H3
InChIKeyLPFGVTYAWMFMQS-UHFFFAOYSA-N
XLogP2.32
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopropyl)-2-ethoxy-6-methyl-1,3,4,2-dioxazasilocane?
The IUPAC name of 2-(3-bromopropyl)-2-ethoxy-6-methyl-1,3,4,2-dioxazasilocane (CID 150976550) is 2-(3-bromopropyl)-2-ethoxy-6-methyl-1,3,4,2-dioxazasilocane.
What is the SMILES notation for 2-(3-bromopropyl)-2-ethoxy-6-methyl-1,3,4,2-dioxazasilocane?
The canonical SMILES for 2-(3-bromopropyl)-2-ethoxy-6-methyl-1,3,4,2-dioxazasilocane is CCO[Si]1(CCCBr)OCCC(C)CNO1.
What is the InChIKey of 2-(3-bromopropyl)-2-ethoxy-6-methyl-1,3,4,2-dioxazasilocane?
The InChIKey is LPFGVTYAWMFMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrNO3Si/c1-3-13-16(8-4-6-11)14-7-5-10(2)9-12-15-16/h10,12H,3-9H2,1-2H3.
What are the key properties of 2-(3-bromopropyl)-2-ethoxy-6-methyl-1,3,4,2-dioxazasilocane?
2-(3-bromopropyl)-2-ethoxy-6-methyl-1,3,4,2-dioxazasilocane has a molecular weight of 312.28 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropyl)-2-ethoxy-6-methyl-1,3,4,2-dioxazasilocane is sourced from PubChem (CID 150976550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).