8-chlorooctyl(trimethoxy)silane;morpholine;trimethoxy(8-morpholin-4-yloctyl)silane

C30H67ClN2O8Si2 — CID 165068627

IUPAC8-chlorooctyl(trimethoxy)silane;morpholine;trimethoxy(8-morpholin-4-yloctyl)silane
SMILESC1COCCN1.CO[Si](CCCCCCCCCl)(OC)OC.CO[Si](CCCCCCCCN1CCOCC1)(OC)OC
InChIInChI=1S/C15H33NO4Si.C11H25ClO3Si.C4H9NO/c1-17-21(18-2,19-3)15-9-7-5-4-6-8-10-16-11-13-20-14-12-16;1-13-16(14-2,15-3)11-9-7-5-4-6-8-10-12;1-3-6-4-2-5-1/h4-15H2,1-3H3;4-11H2,1-3H3;5H,1-4H2
InChIKeySJOQQYKGTJWGCU-UHFFFAOYSA-N
MW675.50 g/mol
LogP5.59
Rot. Bonds23

About 8-chlorooctyl(trimethoxy)silane;morpholine;trimethoxy(8-morpholin-4-yloctyl)silane

8-chlorooctyl(trimethoxy)silane;morpholine;trimethoxy(8-morpholin-4-yloctyl)silane (PubChem CID 165068627) has the molecular formula C30H67ClN2O8Si2 and a molecular weight of 675.50 g/mol. Its IUPAC name is 8-chlorooctyl(trimethoxy)silane;morpholine;trimethoxy(8-morpholin-4-yloctyl)silane.

Molecular Properties

Compound Name8-chlorooctyl(trimethoxy)silane;morpholine;trimethoxy(8-morpholin-4-yloctyl)silane
PubChem CID165068627
Molecular FormulaC30H67ClN2O8Si2
Molecular Weight675.50 g/mol
Exact Mass674.41
IUPAC Name8-chlorooctyl(trimethoxy)silane;morpholine;trimethoxy(8-morpholin-4-yloctyl)silane
SMILESC1COCCN1.CO[Si](CCCCCCCCCl)(OC)OC.CO[Si](CCCCCCCCN1CCOCC1)(OC)OC
InChIInChI=1S/C15H33NO4Si.C11H25ClO3Si.C4H9NO/c1-17-21(18-2,19-3)15-9-7-5-4-6-8-10-16-11-13-20-14-12-16;1-13-16(14-2,15-3)11-9-7-5-4-6-8-10-12;1-3-6-4-2-5-1/h4-15H2,1-3H3;4-11H2,1-3H3;5H,1-4H2
InChIKeySJOQQYKGTJWGCU-UHFFFAOYSA-N
XLogP5.59
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.50
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 8-chlorooctyl(trimethoxy)silane;morpholine;trimethoxy(8-morpholin-4-yloctyl)silane?
The IUPAC name of 8-chlorooctyl(trimethoxy)silane;morpholine;trimethoxy(8-morpholin-4-yloctyl)silane (CID 165068627) is 8-chlorooctyl(trimethoxy)silane;morpholine;trimethoxy(8-morpholin-4-yloctyl)silane.
What is the SMILES notation for 8-chlorooctyl(trimethoxy)silane;morpholine;trimethoxy(8-morpholin-4-yloctyl)silane?
The canonical SMILES for 8-chlorooctyl(trimethoxy)silane;morpholine;trimethoxy(8-morpholin-4-yloctyl)silane is C1COCCN1.CO[Si](CCCCCCCCCl)(OC)OC.CO[Si](CCCCCCCCN1CCOCC1)(OC)OC.
What is the InChIKey of 8-chlorooctyl(trimethoxy)silane;morpholine;trimethoxy(8-morpholin-4-yloctyl)silane?
The InChIKey is SJOQQYKGTJWGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO4Si.C11H25ClO3Si.C4H9NO/c1-17-21(18-2,19-3)15-9-7-5-4-6-8-10-16-11-13-20-14-12-16;1-13-16(14-2,15-3)11-9-7-5-4-6-8-10-12;1-3-6-4-2-5-1/h4-15H2,1-3H3;4-11H2,1-3H3;5H,1-4H2.
What are the key properties of 8-chlorooctyl(trimethoxy)silane;morpholine;trimethoxy(8-morpholin-4-yloctyl)silane?
8-chlorooctyl(trimethoxy)silane;morpholine;trimethoxy(8-morpholin-4-yloctyl)silane has a molecular weight of 675.50 g/mol, XLogP of 5.59, 23 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chlorooctyl(trimethoxy)silane;morpholine;trimethoxy(8-morpholin-4-yloctyl)silane is sourced from PubChem (CID 165068627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).