bis(1-ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-2-yl)silyloxy-bis(1-ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-2-yl)silane

C44H42F52O5Si2 — CID 123854180

IUPACbis(1-ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-2-yl)silyloxy-bis(1-ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-2-yl)silane
SMILESCCOCC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[SiH](O[SiH](C(COCC)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(COCC)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(COCC)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C44H42F52O5Si2/c1-5-97-13-17(9-21(45,46)25(53,54)29(61,62)33(69,70)37(77,78)41(85,86)87)102(18(14-98-6-2)10-22(47,48)26(55,56)30(63,64)34(71,72)38(79,80)42(88,89)90)101-103(19(15-99-7-3)11-23(49,50)27(57,58)31(65,66)35(73,74)39(81,82)43(91,92)93)20(16-100-8-4)12-24(51,52)28(59,60)32(67,68)36(75,76)40(83,84)44(94,95)96/h17-20,102-103H,5-16H2,1-4H3
InChIKeyNIDQAARULRVXIT-UHFFFAOYSA-N
MW1694.88 g/mol
LogP20.59
Rot. Bonds42

About bis(1-ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-2-yl)silyloxy-bis(1-ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-2-yl)silane

bis(1-ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-2-yl)silyloxy-bis(1-ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-2-yl)silane (PubChem CID 123854180) has the molecular formula C44H42F52O5Si2 and a molecular weight of 1694.88 g/mol. Its IUPAC name is bis(1-ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-2-yl)silyloxy-bis(1-ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-2-yl)silane.

Molecular Properties

Compound Namebis(1-ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-2-yl)silyloxy-bis(1-ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-2-yl)silane
PubChem CID123854180
Molecular FormulaC44H42F52O5Si2
Molecular Weight1694.88 g/mol
Exact Mass1694.17
IUPAC Namebis(1-ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-2-yl)silyloxy-bis(1-ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-2-yl)silane
SMILESCCOCC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[SiH](O[SiH](C(COCC)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(COCC)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(COCC)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C44H42F52O5Si2/c1-5-97-13-17(9-21(45,46)25(53,54)29(61,62)33(69,70)37(77,78)41(85,86)87)102(18(14-98-6-2)10-22(47,48)26(55,56)30(63,64)34(71,72)38(79,80)42(88,89)90)101-103(19(15-99-7-3)11-23(49,50)27(57,58)31(65,66)35(73,74)39(81,82)43(91,92)93)20(16-100-8-4)12-24(51,52)28(59,60)32(67,68)36(75,76)40(83,84)44(94,95)96/h17-20,102-103H,5-16H2,1-4H3
InChIKeyNIDQAARULRVXIT-UHFFFAOYSA-N
XLogP20.59
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds42
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001694.88
LogP ≤ 520.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze bis(1-ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-2-yl)silyloxy-bis(1-ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-2-yl)silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1-ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-2-yl)silyloxy-bis(1-ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-2-yl)silane?
The IUPAC name of bis(1-ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-2-yl)silyloxy-bis(1-ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-2-yl)silane (CID 123854180) is bis(1-ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-2-yl)silyloxy-bis(1-ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-2-yl)silane.
What is the SMILES notation for bis(1-ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-2-yl)silyloxy-bis(1-ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-2-yl)silane?
The canonical SMILES for bis(1-ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-2-yl)silyloxy-bis(1-ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-2-yl)silane is CCOCC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[SiH](O[SiH](C(COCC)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(COCC)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(COCC)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of bis(1-ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-2-yl)silyloxy-bis(1-ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-2-yl)silane?
The InChIKey is NIDQAARULRVXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42F52O5Si2/c1-5-97-13-17(9-21(45,46)25(53,54)29(61,62)33(69,70)37(77,78)41(85,86)87)102(18(14-98-6-2)10-22(47,48)26(55,56)30(63,64)34(71,72)38(79,80)42(88,89)90)101-103(19(15-99-7-3)11-23(49,50)27(57,58)31(65,66)35(73,74)39(81,82)43(91,92)93)20(16-100-8-4)12-24(51,52)28(59,60)32(67,68)36(75,76)40(83,84)44(94,95)96/h17-20,102-103H,5-16H2,1-4H3.
What are the key properties of bis(1-ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-2-yl)silyloxy-bis(1-ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-2-yl)silane?
bis(1-ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-2-yl)silyloxy-bis(1-ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-2-yl)silane has a molecular weight of 1694.88 g/mol, XLogP of 20.59, 42 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-2-yl)silyloxy-bis(1-ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-2-yl)silane is sourced from PubChem (CID 123854180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).