decyl-diethoxy-(2-fluorononadecan-2-yloxy)silane

C33H69FO3Si — CID 172835674

IUPACdecyl-diethoxy-(2-fluorononadecan-2-yloxy)silane
SMILESCCCCCCCCCCCCCCCCCC(C)(F)O[Si](CCCCCCCCCC)(OCC)OCC
InChIInChI=1S/C33H69FO3Si/c1-6-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33(5,34)37-38(35-8-3,36-9-4)32-30-28-26-17-15-13-11-7-2/h6-32H2,1-5H3
InChIKeyWCTZWOYQXFWFSK-UHFFFAOYSA-N
MW561.00 g/mol
LogP12.10
Rot. Bonds31

About decyl-diethoxy-(2-fluorononadecan-2-yloxy)silane

decyl-diethoxy-(2-fluorononadecan-2-yloxy)silane (PubChem CID 172835674) has the molecular formula C33H69FO3Si and a molecular weight of 561.00 g/mol. Its IUPAC name is decyl-diethoxy-(2-fluorononadecan-2-yloxy)silane.

Molecular Properties

Compound Namedecyl-diethoxy-(2-fluorononadecan-2-yloxy)silane
PubChem CID172835674
Molecular FormulaC33H69FO3Si
Molecular Weight561.00 g/mol
Exact Mass560.50
IUPAC Namedecyl-diethoxy-(2-fluorononadecan-2-yloxy)silane
SMILESCCCCCCCCCCCCCCCCCC(C)(F)O[Si](CCCCCCCCCC)(OCC)OCC
InChIInChI=1S/C33H69FO3Si/c1-6-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33(5,34)37-38(35-8-3,36-9-4)32-30-28-26-17-15-13-11-7-2/h6-32H2,1-5H3
InChIKeyWCTZWOYQXFWFSK-UHFFFAOYSA-N
XLogP12.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds31
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.00
LogP ≤ 512.10
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

Silane, dimethylbis(octadecyloxy)-
CID 120117
Silane, diethyldioctyloxy-
CID 23342511
Silane, diethyldidecyloxy-
CID 23342517
Tert-butyl-(10-fluoroundecoxy)-dimethylsilane
CID 72697078
n-Octyldecyltrimethoxysilane
CID 87248978
Decyl(triethoxy)silane;1-fluoroheptadecane
CID 175426991
Ethyl-(9-fluorononoxy)-methoxy-methylsilane
CID 87402580
Ethyl-(9-fluorononoxy)-dimethoxysilane
CID 87402951
10-Fluorodecyl-dimethoxy-octadecoxysilane
CID 87528170
1-Fluorobutyl-dimethyl-octacosoxysilane
CID 87928897
Ethyl-(2-fluoroheptoxy)-dimethoxysilane
CID 139743436
Difluoro-heptadecoxy-heptadecylsilane
CID 139920704

Frequently Asked Questions

What is the IUPAC name of decyl-diethoxy-(2-fluorononadecan-2-yloxy)silane?
The IUPAC name of decyl-diethoxy-(2-fluorononadecan-2-yloxy)silane (CID 172835674) is decyl-diethoxy-(2-fluorononadecan-2-yloxy)silane.
What is the SMILES notation for decyl-diethoxy-(2-fluorononadecan-2-yloxy)silane?
The canonical SMILES for decyl-diethoxy-(2-fluorononadecan-2-yloxy)silane is CCCCCCCCCCCCCCCCCC(C)(F)O[Si](CCCCCCCCCC)(OCC)OCC.
What is the InChIKey of decyl-diethoxy-(2-fluorononadecan-2-yloxy)silane?
The InChIKey is WCTZWOYQXFWFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H69FO3Si/c1-6-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33(5,34)37-38(35-8-3,36-9-4)32-30-28-26-17-15-13-11-7-2/h6-32H2,1-5H3.
What are the key properties of decyl-diethoxy-(2-fluorononadecan-2-yloxy)silane?
decyl-diethoxy-(2-fluorononadecan-2-yloxy)silane has a molecular weight of 561.00 g/mol, XLogP of 12.10, 31 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-diethoxy-(2-fluorononadecan-2-yloxy)silane is sourced from PubChem (CID 172835674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).