2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3,4,8,9,10,11-octahydropentacene-5,7,12,14-tetrol

C34H50O6Si2 — CID 91351907

IUPAC2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3,4,8,9,10,11-octahydropentacene-5,7,12,14-tetrol
SMILESCC(C)(C)[Si](C)(C)OC1CCc2c(c(O)c3cc4c(O)c5c(c(O)c4cc3c2O)CCC(O[Si](C)(C)C(C)(C)C)C5)C1
InChIInChI=1S/C34H50O6Si2/c1-33(2,3)41(7,8)39-19-11-13-21-23(15-19)31(37)27-18-28-26(17-25(27)29(21)35)30(36)22-14-12-20(16-24(22)32(28)38)40-42(9,10)34(4,5)6/h17-20,35-38H,11-16H2,1-10H3
InChIKeyASUUMHVASDDZAV-UHFFFAOYSA-N
MW610.94 g/mol
LogP8.57
Rot. Bonds4

About 2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3,4,8,9,10,11-octahydropentacene-5,7,12,14-tetrol

2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3,4,8,9,10,11-octahydropentacene-5,7,12,14-tetrol (PubChem CID 91351907) has the molecular formula C34H50O6Si2 and a molecular weight of 610.94 g/mol. Its IUPAC name is 2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3,4,8,9,10,11-octahydropentacene-5,7,12,14-tetrol.

Molecular Properties

Compound Name2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3,4,8,9,10,11-octahydropentacene-5,7,12,14-tetrol
PubChem CID91351907
Molecular FormulaC34H50O6Si2
Molecular Weight610.94 g/mol
Exact Mass610.31
IUPAC Name2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3,4,8,9,10,11-octahydropentacene-5,7,12,14-tetrol
SMILESCC(C)(C)[Si](C)(C)OC1CCc2c(c(O)c3cc4c(O)c5c(c(O)c4cc3c2O)CCC(O[Si](C)(C)C(C)(C)C)C5)C1
InChIInChI=1S/C34H50O6Si2/c1-33(2,3)41(7,8)39-19-11-13-21-23(15-19)31(37)27-18-28-26(17-25(27)29(21)35)30(36)22-14-12-20(16-24(22)32(28)38)40-42(9,10)34(4,5)6/h17-20,35-38H,11-16H2,1-10H3
InChIKeyASUUMHVASDDZAV-UHFFFAOYSA-N
XLogP8.57
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.94
LogP ≤ 58.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3,4,8,9,10,11-octahydropentacene-5,7,12,14-tetrol?
The IUPAC name of 2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3,4,8,9,10,11-octahydropentacene-5,7,12,14-tetrol (CID 91351907) is 2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3,4,8,9,10,11-octahydropentacene-5,7,12,14-tetrol.
What is the SMILES notation for 2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3,4,8,9,10,11-octahydropentacene-5,7,12,14-tetrol?
The canonical SMILES for 2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3,4,8,9,10,11-octahydropentacene-5,7,12,14-tetrol is CC(C)(C)[Si](C)(C)OC1CCc2c(c(O)c3cc4c(O)c5c(c(O)c4cc3c2O)CCC(O[Si](C)(C)C(C)(C)C)C5)C1.
What is the InChIKey of 2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3,4,8,9,10,11-octahydropentacene-5,7,12,14-tetrol?
The InChIKey is ASUUMHVASDDZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50O6Si2/c1-33(2,3)41(7,8)39-19-11-13-21-23(15-19)31(37)27-18-28-26(17-25(27)29(21)35)30(36)22-14-12-20(16-24(22)32(28)38)40-42(9,10)34(4,5)6/h17-20,35-38H,11-16H2,1-10H3.
What are the key properties of 2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3,4,8,9,10,11-octahydropentacene-5,7,12,14-tetrol?
2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3,4,8,9,10,11-octahydropentacene-5,7,12,14-tetrol has a molecular weight of 610.94 g/mol, XLogP of 8.57, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3,4,8,9,10,11-octahydropentacene-5,7,12,14-tetrol is sourced from PubChem (CID 91351907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).