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

C34H50O6Si2 — CID 59165100

IUPAC2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3,4,4a,7a,8,9,10,11,11a,14a-dodecahydropentacene-5,7,12,14-tetrone
SMILESCC(C)(C)[Si](C)(C)OC1CCC2C(=O)c3cc4c(cc3C(=O)C2C1)C(=O)C1CC(O[Si](C)(C)C(C)(C)C)CCC1C4=O
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/h17-24H,11-16H2,1-10H3
InChIKeyZLRRRQHFFRVQEV-UHFFFAOYSA-N
MW610.94 g/mol
LogP8.06
Rot. Bonds4

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

2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3,4,4a,7a,8,9,10,11,11a,14a-dodecahydropentacene-5,7,12,14-tetrone (PubChem CID 59165100) 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]-1,2,3,4,4a,7a,8,9,10,11,11a,14a-dodecahydropentacene-5,7,12,14-tetrone.

Molecular Properties

Compound Name2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3,4,4a,7a,8,9,10,11,11a,14a-dodecahydropentacene-5,7,12,14-tetrone
PubChem CID59165100
Molecular FormulaC34H50O6Si2
Molecular Weight610.94 g/mol
Exact Mass610.31
IUPAC Name2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3,4,4a,7a,8,9,10,11,11a,14a-dodecahydropentacene-5,7,12,14-tetrone
SMILESCC(C)(C)[Si](C)(C)OC1CCC2C(=O)c3cc4c(cc3C(=O)C2C1)C(=O)C1CC(O[Si](C)(C)C(C)(C)C)CCC1C4=O
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/h17-24H,11-16H2,1-10H3
InChIKeyZLRRRQHFFRVQEV-UHFFFAOYSA-N
XLogP8.06
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.94
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3,4,4a,7a,8,9,10,11,11a,14a-dodecahydropentacene-5,7,12,14-tetrone?
The IUPAC name of 2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3,4,4a,7a,8,9,10,11,11a,14a-dodecahydropentacene-5,7,12,14-tetrone (CID 59165100) is 2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3,4,4a,7a,8,9,10,11,11a,14a-dodecahydropentacene-5,7,12,14-tetrone.
What is the SMILES notation for 2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3,4,4a,7a,8,9,10,11,11a,14a-dodecahydropentacene-5,7,12,14-tetrone?
The canonical SMILES for 2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3,4,4a,7a,8,9,10,11,11a,14a-dodecahydropentacene-5,7,12,14-tetrone is CC(C)(C)[Si](C)(C)OC1CCC2C(=O)c3cc4c(cc3C(=O)C2C1)C(=O)C1CC(O[Si](C)(C)C(C)(C)C)CCC1C4=O.
What is the InChIKey of 2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3,4,4a,7a,8,9,10,11,11a,14a-dodecahydropentacene-5,7,12,14-tetrone?
The InChIKey is ZLRRRQHFFRVQEV-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/h17-24H,11-16H2,1-10H3.
What are the key properties of 2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3,4,4a,7a,8,9,10,11,11a,14a-dodecahydropentacene-5,7,12,14-tetrone?
2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3,4,4a,7a,8,9,10,11,11a,14a-dodecahydropentacene-5,7,12,14-tetrone has a molecular weight of 610.94 g/mol, XLogP of 8.06, 4 rotatable bonds, 0 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]-1,2,3,4,4a,7a,8,9,10,11,11a,14a-dodecahydropentacene-5,7,12,14-tetrone is sourced from PubChem (CID 59165100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).