ethyl-diheptoxy-(3-morpholin-4-ylpropyl)silane

C23H49NO3Si — CID 177243870

IUPACethyl-diheptoxy-(3-morpholin-4-ylpropyl)silane
SMILESCCCCCCCO[Si](CC)(CCCN1CCOCC1)OCCCCCCC
InChIInChI=1S/C23H49NO3Si/c1-4-7-9-11-13-19-26-28(6-3,27-20-14-12-10-8-5-2)23-15-16-24-17-21-25-22-18-24/h4-23H2,1-3H3
InChIKeyHGOBQNLOFYWLOB-UHFFFAOYSA-N
MW415.74 g/mol
LogP6.14
Rot. Bonds19

About ethyl-diheptoxy-(3-morpholin-4-ylpropyl)silane

ethyl-diheptoxy-(3-morpholin-4-ylpropyl)silane (PubChem CID 177243870) has the molecular formula C23H49NO3Si and a molecular weight of 415.74 g/mol. Its IUPAC name is ethyl-diheptoxy-(3-morpholin-4-ylpropyl)silane.

Molecular Properties

Compound Nameethyl-diheptoxy-(3-morpholin-4-ylpropyl)silane
PubChem CID177243870
Molecular FormulaC23H49NO3Si
Molecular Weight415.74 g/mol
Exact Mass415.35
IUPAC Nameethyl-diheptoxy-(3-morpholin-4-ylpropyl)silane
SMILESCCCCCCCO[Si](CC)(CCCN1CCOCC1)OCCCCCCC
InChIInChI=1S/C23H49NO3Si/c1-4-7-9-11-13-19-26-28(6-3,27-20-14-12-10-8-5-2)23-15-16-24-17-21-25-22-18-24/h4-23H2,1-3H3
InChIKeyHGOBQNLOFYWLOB-UHFFFAOYSA-N
XLogP6.14
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.74
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

butyl-(3-morpholin-4-ylpropyl)-dioctoxysilane
CID 177243864
butyl-(3-morpholin-4-ylpropyl)-dipropoxysilane
CID 177243877
4-(2-hexoxyethyl)morpholine
CID 3326674
4-hexylmorpholine
CID 3614751
butane;4-butylmorpholine
CID 177152600
diethyl-pentoxy-undecoxysilane
CID 91742318
decoxy-diethyl-nonoxysilane
CID 91743782
diethyl-pentadecoxy-tridecoxysilane
CID 91745757
diethyl-pentadecoxy-tetradecoxysilane
CID 91745841
dodecoxy-diethyl-octoxysilane
CID 91744145
4-hexyl-1,4-oxazepane
CID 166849903
hexadecyl N-(3-morpholin-4-ylpropyl)carbamate
CID 18968646

Frequently Asked Questions

What is the IUPAC name of ethyl-diheptoxy-(3-morpholin-4-ylpropyl)silane?
The IUPAC name of ethyl-diheptoxy-(3-morpholin-4-ylpropyl)silane (CID 177243870) is ethyl-diheptoxy-(3-morpholin-4-ylpropyl)silane.
What is the SMILES notation for ethyl-diheptoxy-(3-morpholin-4-ylpropyl)silane?
The canonical SMILES for ethyl-diheptoxy-(3-morpholin-4-ylpropyl)silane is CCCCCCCO[Si](CC)(CCCN1CCOCC1)OCCCCCCC.
What is the InChIKey of ethyl-diheptoxy-(3-morpholin-4-ylpropyl)silane?
The InChIKey is HGOBQNLOFYWLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49NO3Si/c1-4-7-9-11-13-19-26-28(6-3,27-20-14-12-10-8-5-2)23-15-16-24-17-21-25-22-18-24/h4-23H2,1-3H3.
What are the key properties of ethyl-diheptoxy-(3-morpholin-4-ylpropyl)silane?
ethyl-diheptoxy-(3-morpholin-4-ylpropyl)silane has a molecular weight of 415.74 g/mol, XLogP of 6.14, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-diheptoxy-(3-morpholin-4-ylpropyl)silane is sourced from PubChem (CID 177243870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).