heptadecan-9-yloxy-methoxy-octyl-(9-octylheptadecan-9-yloxy)silane

C51H106O3Si — CID 141037366

IUPACheptadecan-9-yloxy-methoxy-octyl-(9-octylheptadecan-9-yloxy)silane
SMILESCCCCCCCCC(CCCCCCCC)O[Si](CCCCCCCC)(OC)OC(CCCCCCCC)(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C51H106O3Si/c1-8-14-20-26-32-38-44-50(45-39-33-27-21-15-9-2)53-55(52-7,49-43-37-31-25-19-13-6)54-51(46-40-34-28-22-16-10-3,47-41-35-29-23-17-11-4)48-42-36-30-24-18-12-5/h50H,8-49H2,1-7H3
InChIKeyRZGRWAMCLRVOKO-UHFFFAOYSA-N
MW795.49 g/mol
LogP18.83
Rot. Bonds47

About heptadecan-9-yloxy-methoxy-octyl-(9-octylheptadecan-9-yloxy)silane

heptadecan-9-yloxy-methoxy-octyl-(9-octylheptadecan-9-yloxy)silane (PubChem CID 141037366) has the molecular formula C51H106O3Si and a molecular weight of 795.49 g/mol. Its IUPAC name is heptadecan-9-yloxy-methoxy-octyl-(9-octylheptadecan-9-yloxy)silane.

Molecular Properties

Compound Nameheptadecan-9-yloxy-methoxy-octyl-(9-octylheptadecan-9-yloxy)silane
PubChem CID141037366
Molecular FormulaC51H106O3Si
Molecular Weight795.49 g/mol
Exact Mass794.79
IUPAC Nameheptadecan-9-yloxy-methoxy-octyl-(9-octylheptadecan-9-yloxy)silane
SMILESCCCCCCCCC(CCCCCCCC)O[Si](CCCCCCCC)(OC)OC(CCCCCCCC)(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C51H106O3Si/c1-8-14-20-26-32-38-44-50(45-39-33-27-21-15-9-2)53-55(52-7,49-43-37-31-25-19-13-6)54-51(46-40-34-28-22-16-10-3,47-41-35-29-23-17-11-4)48-42-36-30-24-18-12-5/h50H,8-49H2,1-7H3
InChIKeyRZGRWAMCLRVOKO-UHFFFAOYSA-N
XLogP18.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds47
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.49
LogP ≤ 518.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of heptadecan-9-yloxy-methoxy-octyl-(9-octylheptadecan-9-yloxy)silane?
The IUPAC name of heptadecan-9-yloxy-methoxy-octyl-(9-octylheptadecan-9-yloxy)silane (CID 141037366) is heptadecan-9-yloxy-methoxy-octyl-(9-octylheptadecan-9-yloxy)silane.
What is the SMILES notation for heptadecan-9-yloxy-methoxy-octyl-(9-octylheptadecan-9-yloxy)silane?
The canonical SMILES for heptadecan-9-yloxy-methoxy-octyl-(9-octylheptadecan-9-yloxy)silane is CCCCCCCCC(CCCCCCCC)O[Si](CCCCCCCC)(OC)OC(CCCCCCCC)(CCCCCCCC)CCCCCCCC.
What is the InChIKey of heptadecan-9-yloxy-methoxy-octyl-(9-octylheptadecan-9-yloxy)silane?
The InChIKey is RZGRWAMCLRVOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H106O3Si/c1-8-14-20-26-32-38-44-50(45-39-33-27-21-15-9-2)53-55(52-7,49-43-37-31-25-19-13-6)54-51(46-40-34-28-22-16-10-3,47-41-35-29-23-17-11-4)48-42-36-30-24-18-12-5/h50H,8-49H2,1-7H3.
What are the key properties of heptadecan-9-yloxy-methoxy-octyl-(9-octylheptadecan-9-yloxy)silane?
heptadecan-9-yloxy-methoxy-octyl-(9-octylheptadecan-9-yloxy)silane has a molecular weight of 795.49 g/mol, XLogP of 18.83, 47 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for heptadecan-9-yloxy-methoxy-octyl-(9-octylheptadecan-9-yloxy)silane is sourced from PubChem (CID 141037366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).