3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;hex-5-en-3-yl-methyl-bis(prop-2-enyl)silane

C20H31F9OSi — CID 157231509

IUPAC3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;hex-5-en-3-yl-methyl-bis(prop-2-enyl)silane
SMILESC=CCC(CC)[Si](C)(CC=C)CC=C.CC(F)(F)C(F)(F)C(F)(F)CCOC(F)(F)F
InChIInChI=1S/C13H24Si.C7H7F9O/c1-6-10-13(9-4)14(5,11-7-2)12-8-3;1-4(8,9)6(12,13)5(10,11)2-3-17-7(14,15)16/h6-8,13H,1-3,9-12H2,4-5H3;2-3H2,1H3
InChIKeyAUDSLPNBOLTITP-UHFFFAOYSA-N
MW486.54 g/mol
LogP8.63
Rot. Bonds13

About 3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;hex-5-en-3-yl-methyl-bis(prop-2-enyl)silane

3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;hex-5-en-3-yl-methyl-bis(prop-2-enyl)silane (PubChem CID 157231509) has the molecular formula C20H31F9OSi and a molecular weight of 486.54 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;hex-5-en-3-yl-methyl-bis(prop-2-enyl)silane.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;hex-5-en-3-yl-methyl-bis(prop-2-enyl)silane
PubChem CID157231509
Molecular FormulaC20H31F9OSi
Molecular Weight486.54 g/mol
Exact Mass486.20
IUPAC Name3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;hex-5-en-3-yl-methyl-bis(prop-2-enyl)silane
SMILESC=CCC(CC)[Si](C)(CC=C)CC=C.CC(F)(F)C(F)(F)C(F)(F)CCOC(F)(F)F
InChIInChI=1S/C13H24Si.C7H7F9O/c1-6-10-13(9-4)14(5,11-7-2)12-8-3;1-4(8,9)6(12,13)5(10,11)2-3-17-7(14,15)16/h6-8,13H,1-3,9-12H2,4-5H3;2-3H2,1H3
InChIKeyAUDSLPNBOLTITP-UHFFFAOYSA-N
XLogP8.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.54
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 157466502
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CID 161229551
N-[2,2-bis(prop-2-enyl)pent-4-enyl]acetamide;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane
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CID 161288540
ethenyl-methyl-di(pentan-3-yl)silane
CID 54079246
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CID 143018723
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluoro-11-prop-2-enoxyundecane
CID 101145950
4,5-diethylhept-1-ene
CID 123746760
2,2,3,3,4,4-hexafluoro-1-propoxypentane
CID 122536211
(4S,5S)-5-methyl-4-propan-2-ylhept-1-ene
CID 59039366
ethyl-(ethyl-methyl-prop-2-enylsilyl)oxy-methyl-prop-2-enylsilane
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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;hex-5-en-3-yl-methyl-bis(prop-2-enyl)silane?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;hex-5-en-3-yl-methyl-bis(prop-2-enyl)silane (CID 157231509) is 3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;hex-5-en-3-yl-methyl-bis(prop-2-enyl)silane.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;hex-5-en-3-yl-methyl-bis(prop-2-enyl)silane?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;hex-5-en-3-yl-methyl-bis(prop-2-enyl)silane is C=CCC(CC)[Si](C)(CC=C)CC=C.CC(F)(F)C(F)(F)C(F)(F)CCOC(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;hex-5-en-3-yl-methyl-bis(prop-2-enyl)silane?
The InChIKey is AUDSLPNBOLTITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24Si.C7H7F9O/c1-6-10-13(9-4)14(5,11-7-2)12-8-3;1-4(8,9)6(12,13)5(10,11)2-3-17-7(14,15)16/h6-8,13H,1-3,9-12H2,4-5H3;2-3H2,1H3.
What are the key properties of 3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;hex-5-en-3-yl-methyl-bis(prop-2-enyl)silane?
3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;hex-5-en-3-yl-methyl-bis(prop-2-enyl)silane has a molecular weight of 486.54 g/mol, XLogP of 8.63, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;hex-5-en-3-yl-methyl-bis(prop-2-enyl)silane is sourced from PubChem (CID 157231509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).