(Z,5S,6S,7S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorododec-2-ene-1,5,6,7-tetrol

C18H36F2O5Si — CID 135018190

IUPAC(Z,5S,6S,7S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorododec-2-ene-1,5,6,7-tetrol
SMILESCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H](O)C(F)(F)/C=C\CO
InChIInChI=1S/C18H36F2O5Si/c1-7-8-10-13(25-26(5,6)17(2,3)4)14(22)15(23)16(24)18(19,20)11-9-12-21/h9,11,13-16,21-24H,7-8,10,12H2,1-6H3/b11-9-/t13-,14+,15-,16-/m0/s1
InChIKeyCPNZTIOVSZTMDF-KNZMMQGDSA-N
MW398.56 g/mol
LogP2.83
Rot. Bonds11

About (Z,5S,6S,7S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorododec-2-ene-1,5,6,7-tetrol

(Z,5S,6S,7S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorododec-2-ene-1,5,6,7-tetrol (PubChem CID 135018190) has the molecular formula C18H36F2O5Si and a molecular weight of 398.56 g/mol. Its IUPAC name is (Z,5S,6S,7S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorododec-2-ene-1,5,6,7-tetrol.

Molecular Properties

Compound Name(Z,5S,6S,7S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorododec-2-ene-1,5,6,7-tetrol
PubChem CID135018190
Molecular FormulaC18H36F2O5Si
Molecular Weight398.56 g/mol
Exact Mass398.23
IUPAC Name(Z,5S,6S,7S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorododec-2-ene-1,5,6,7-tetrol
SMILESCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H](O)C(F)(F)/C=C\CO
InChIInChI=1S/C18H36F2O5Si/c1-7-8-10-13(25-26(5,6)17(2,3)4)14(22)15(23)16(24)18(19,20)11-9-12-21/h9,11,13-16,21-24H,7-8,10,12H2,1-6H3/b11-9-/t13-,14+,15-,16-/m0/s1
InChIKeyCPNZTIOVSZTMDF-KNZMMQGDSA-N
XLogP2.83
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.56
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,5S,6S,7S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorododec-2-ene-1,5,6,7-tetrol?
The IUPAC name of (Z,5S,6S,7S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorododec-2-ene-1,5,6,7-tetrol (CID 135018190) is (Z,5S,6S,7S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorododec-2-ene-1,5,6,7-tetrol.
What is the SMILES notation for (Z,5S,6S,7S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorododec-2-ene-1,5,6,7-tetrol?
The canonical SMILES for (Z,5S,6S,7S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorododec-2-ene-1,5,6,7-tetrol is CCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H](O)C(F)(F)/C=C\CO.
What is the InChIKey of (Z,5S,6S,7S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorododec-2-ene-1,5,6,7-tetrol?
The InChIKey is CPNZTIOVSZTMDF-KNZMMQGDSA-N. The full InChI is InChI=1S/C18H36F2O5Si/c1-7-8-10-13(25-26(5,6)17(2,3)4)14(22)15(23)16(24)18(19,20)11-9-12-21/h9,11,13-16,21-24H,7-8,10,12H2,1-6H3/b11-9-/t13-,14+,15-,16-/m0/s1.
What are the key properties of (Z,5S,6S,7S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorododec-2-ene-1,5,6,7-tetrol?
(Z,5S,6S,7S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorododec-2-ene-1,5,6,7-tetrol has a molecular weight of 398.56 g/mol, XLogP of 2.83, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5S,6S,7S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorododec-2-ene-1,5,6,7-tetrol is sourced from PubChem (CID 135018190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).