3,9,15,21,26,26-hexamethyl-25,27-dioxa-26-silahexacyclo[21.5.1.17,11.113,17.05,28.019,24]hentriaconta-1,3,5(28),7,9,11(31),13(30),14,16,19(24),20,22-dodecaene-30,31-diol

C34H36O4Si — CID 101333427

IUPAC3,9,15,21,26,26-hexamethyl-25,27-dioxa-26-silahexacyclo[21.5.1.17,11.113,17.05,28.019,24]hentriaconta-1,3,5(28),7,9,11(31),13(30),14,16,19(24),20,22-dodecaene-30,31-diol
SMILESCc1cc2c(O)c(c1)Cc1cc(C)cc3c1O[Si](C)(C)Oc1c(cc(C)cc1C3)Cc1cc(C)cc(c1O)C2
InChIInChI=1S/C34H36O4Si/c1-19-7-23-15-24-8-20(2)10-26(32(24)36)17-28-12-22(4)14-30-18-29-13-21(3)11-27(16-25(9-19)31(23)35)33(29)37-39(5,6)38-34(28)30/h7-14,35-36H,15-18H2,1-6H3
InChIKeyGFYRZLOXTRIQGF-UHFFFAOYSA-N
MW536.74 g/mol
LogP7.48
Rot. Bonds

About 3,9,15,21,26,26-hexamethyl-25,27-dioxa-26-silahexacyclo[21.5.1.17,11.113,17.05,28.019,24]hentriaconta-1,3,5(28),7,9,11(31),13(30),14,16,19(24),20,22-dodecaene-30,31-diol

3,9,15,21,26,26-hexamethyl-25,27-dioxa-26-silahexacyclo[21.5.1.17,11.113,17.05,28.019,24]hentriaconta-1,3,5(28),7,9,11(31),13(30),14,16,19(24),20,22-dodecaene-30,31-diol (PubChem CID 101333427) has the molecular formula C34H36O4Si and a molecular weight of 536.74 g/mol. Its IUPAC name is 3,9,15,21,26,26-hexamethyl-25,27-dioxa-26-silahexacyclo[21.5.1.17,11.113,17.05,28.019,24]hentriaconta-1,3,5(28),7,9,11(31),13(30),14,16,19(24),20,22-dodecaene-30,31-diol.

Molecular Properties

Compound Name3,9,15,21,26,26-hexamethyl-25,27-dioxa-26-silahexacyclo[21.5.1.17,11.113,17.05,28.019,24]hentriaconta-1,3,5(28),7,9,11(31),13(30),14,16,19(24),20,22-dodecaene-30,31-diol
PubChem CID101333427
Molecular FormulaC34H36O4Si
Molecular Weight536.74 g/mol
Exact Mass536.24
IUPAC Name3,9,15,21,26,26-hexamethyl-25,27-dioxa-26-silahexacyclo[21.5.1.17,11.113,17.05,28.019,24]hentriaconta-1,3,5(28),7,9,11(31),13(30),14,16,19(24),20,22-dodecaene-30,31-diol
SMILESCc1cc2c(O)c(c1)Cc1cc(C)cc3c1O[Si](C)(C)Oc1c(cc(C)cc1C3)Cc1cc(C)cc(c1O)C2
InChIInChI=1S/C34H36O4Si/c1-19-7-23-15-24-8-20(2)10-26(32(24)36)17-28-12-22(4)14-30-18-29-13-21(3)11-27(16-25(9-19)31(23)35)33(29)37-39(5,6)38-34(28)30/h7-14,35-36H,15-18H2,1-6H3
InChIKeyGFYRZLOXTRIQGF-UHFFFAOYSA-N
XLogP7.48
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.74
LogP ≤ 57.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,9,15,21,26,26-hexamethyl-25,27-dioxa-26-silahexacyclo[21.5.1.17,11.113,17.05,28.019,24]hentriaconta-1,3,5(28),7,9,11(31),13(30),14,16,19(24),20,22-dodecaene-30,31-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,9,15,21,26,26-hexamethyl-25,27-dioxa-26-silahexacyclo[21.5.1.17,11.113,17.05,28.019,24]hentriaconta-1,3,5(28),7,9,11(31),13(30),14,16,19(24),20,22-dodecaene-30,31-diol?
The IUPAC name of 3,9,15,21,26,26-hexamethyl-25,27-dioxa-26-silahexacyclo[21.5.1.17,11.113,17.05,28.019,24]hentriaconta-1,3,5(28),7,9,11(31),13(30),14,16,19(24),20,22-dodecaene-30,31-diol (CID 101333427) is 3,9,15,21,26,26-hexamethyl-25,27-dioxa-26-silahexacyclo[21.5.1.17,11.113,17.05,28.019,24]hentriaconta-1,3,5(28),7,9,11(31),13(30),14,16,19(24),20,22-dodecaene-30,31-diol.
What is the SMILES notation for 3,9,15,21,26,26-hexamethyl-25,27-dioxa-26-silahexacyclo[21.5.1.17,11.113,17.05,28.019,24]hentriaconta-1,3,5(28),7,9,11(31),13(30),14,16,19(24),20,22-dodecaene-30,31-diol?
The canonical SMILES for 3,9,15,21,26,26-hexamethyl-25,27-dioxa-26-silahexacyclo[21.5.1.17,11.113,17.05,28.019,24]hentriaconta-1,3,5(28),7,9,11(31),13(30),14,16,19(24),20,22-dodecaene-30,31-diol is Cc1cc2c(O)c(c1)Cc1cc(C)cc3c1O[Si](C)(C)Oc1c(cc(C)cc1C3)Cc1cc(C)cc(c1O)C2.
What is the InChIKey of 3,9,15,21,26,26-hexamethyl-25,27-dioxa-26-silahexacyclo[21.5.1.17,11.113,17.05,28.019,24]hentriaconta-1,3,5(28),7,9,11(31),13(30),14,16,19(24),20,22-dodecaene-30,31-diol?
The InChIKey is GFYRZLOXTRIQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36O4Si/c1-19-7-23-15-24-8-20(2)10-26(32(24)36)17-28-12-22(4)14-30-18-29-13-21(3)11-27(16-25(9-19)31(23)35)33(29)37-39(5,6)38-34(28)30/h7-14,35-36H,15-18H2,1-6H3.
What are the key properties of 3,9,15,21,26,26-hexamethyl-25,27-dioxa-26-silahexacyclo[21.5.1.17,11.113,17.05,28.019,24]hentriaconta-1,3,5(28),7,9,11(31),13(30),14,16,19(24),20,22-dodecaene-30,31-diol?
3,9,15,21,26,26-hexamethyl-25,27-dioxa-26-silahexacyclo[21.5.1.17,11.113,17.05,28.019,24]hentriaconta-1,3,5(28),7,9,11(31),13(30),14,16,19(24),20,22-dodecaene-30,31-diol has a molecular weight of 536.74 g/mol, XLogP of 7.48, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9,15,21,26,26-hexamethyl-25,27-dioxa-26-silahexacyclo[21.5.1.17,11.113,17.05,28.019,24]hentriaconta-1,3,5(28),7,9,11(31),13(30),14,16,19(24),20,22-dodecaene-30,31-diol is sourced from PubChem (CID 101333427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).