2,2,4,4,16,16-hexamethyl-3,9,17,25-tetraoxa-2,4,16-trisilaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10,12,14,19(24),20,22,26(30),27,31-dodecaene

C31H32O4Si3 — CID 160738916

IUPAC2,2,4,4,16,16-hexamethyl-3,9,17,25-tetraoxa-2,4,16-trisilaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10,12,14,19(24),20,22,26(30),27,31-dodecaene
SMILESC[Si]1(C)O[Si](C)(C)c2ccc3oc4c(cccc4c3c2)[Si](C)(C)OCc2cccc3c2oc2ccc1cc23
InChIInChI=1S/C31H32O4Si3/c1-36(2)21-13-15-27-25(17-21)23-10-7-9-20(30(23)33-27)19-32-38(5,6)29-12-8-11-24-26-18-22(37(3,4)35-36)14-16-28(26)34-31(24)29/h7-18H,19H2,1-6H3
InChIKeyPFBYTNXIYCOLSY-UHFFFAOYSA-N
MW552.85 g/mol
LogP6.97
Rot. Bonds

About 2,2,4,4,16,16-hexamethyl-3,9,17,25-tetraoxa-2,4,16-trisilaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10,12,14,19(24),20,22,26(30),27,31-dodecaene

2,2,4,4,16,16-hexamethyl-3,9,17,25-tetraoxa-2,4,16-trisilaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10,12,14,19(24),20,22,26(30),27,31-dodecaene (PubChem CID 160738916) has the molecular formula C31H32O4Si3 and a molecular weight of 552.85 g/mol. Its IUPAC name is 2,2,4,4,16,16-hexamethyl-3,9,17,25-tetraoxa-2,4,16-trisilaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10,12,14,19(24),20,22,26(30),27,31-dodecaene.

Molecular Properties

Compound Name2,2,4,4,16,16-hexamethyl-3,9,17,25-tetraoxa-2,4,16-trisilaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10,12,14,19(24),20,22,26(30),27,31-dodecaene
PubChem CID160738916
Molecular FormulaC31H32O4Si3
Molecular Weight552.85 g/mol
Exact Mass552.16
IUPAC Name2,2,4,4,16,16-hexamethyl-3,9,17,25-tetraoxa-2,4,16-trisilaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10,12,14,19(24),20,22,26(30),27,31-dodecaene
SMILESC[Si]1(C)O[Si](C)(C)c2ccc3oc4c(cccc4c3c2)[Si](C)(C)OCc2cccc3c2oc2ccc1cc23
InChIInChI=1S/C31H32O4Si3/c1-36(2)21-13-15-27-25(17-21)23-10-7-9-20(30(23)33-27)19-32-38(5,6)29-12-8-11-24-26-18-22(37(3,4)35-36)14-16-28(26)34-31(24)29/h7-18H,19H2,1-6H3
InChIKeyPFBYTNXIYCOLSY-UHFFFAOYSA-N
XLogP6.97
TPSA44.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.85
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2,4,4,16,16-hexamethyl-3,9,17,25-tetraoxa-2,4,16-trisilaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10,12,14,19(24),20,22,26(30),27,31-dodecaene with MolForge

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Related Compounds

3,9,17,25-tetraoxaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10(15),11,13,19(24),20,22,26(30),27,31-dodecaene
CID 122694635
7,7,8,8,19,19,20,20,25,27-decamethyl-26,28-dioxa-7,8,19,20-tetrasilaheptacyclo[19.3.1.12,6.13,24.19,13.112,15.114,18]triaconta-1(24),2,4,6(30),9(29),10,12,14,16,18(27),21(25),22-dodecaene;2,2,3,3,15,15-hexamethyl-8,23-dioxa-2,3,15-trisilaheptacyclo[19.5.2.24,7.06,10.09,14.017,22.024,28]triaconta-1(27),4,6,9,11,13,17(22),18,20,24(28),25,29-dodecaene;7,7,8,8,19,19,20,20-octamethyl-26,28-dioxa-4,11-diaza-7,8,19,20-tetrasilaheptacyclo[19.3.1.12,6.13,24.19,13.112,15.114,18]triaconta-1(24),2,4,6(30),9(29),10,12,14,16,18(27),21(25),22-dodecaene;7,7,8,8,19,19,20,20-octamethyl-26,28-dioxa-7,8,19,20-tetrasilaheptacyclo[19.3.1.12,6.13,24.19,13.112,15.114,18]triaconta-1(24),2,4,6(30),9(29),10,12,14,16,18(27),21(25),22-dodecaene;7,7,8,8,19,19,20,20-octamethyl-26,28-dioxa-5,10,29,30-tetraza-7,8,19,20-tetrasilaheptacyclo[19.3.1.12,6.13,24.19,13.112,15.114,18]triaconta-1(24),2(30),3,5,9,11,13(29),14,16,18(27),21(25),22-dodecaene
CID 158965786
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
2-methyl-6-(4-methylphenyl)dibenzofuran
CID 134235595
8-bromodibenzofuran-4-ol
CID 163774283
2,6-diiododibenzofuran
CID 56649788
2-benzyl-6-methyldibenzofuran
CID 155004540
(8-bromodibenzofuran-4-yl)boronic acid
CID 142752650
2-bromo-6-iododibenzofuran
CID 129100797
9-(8-chlorodibenzofuran-4-yl)carbazole
CID 139342225
2-bromo-6-(2-methylphenyl)dibenzofuran
CID 130421075
9-(8-dibenzofuran-1-yldibenzofuran-4-yl)carbazole;2-dibenzofuran-1-yl-6-methyldibenzofuran;9H-fluorene
CID 162091058

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,16,16-hexamethyl-3,9,17,25-tetraoxa-2,4,16-trisilaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10,12,14,19(24),20,22,26(30),27,31-dodecaene?
The IUPAC name of 2,2,4,4,16,16-hexamethyl-3,9,17,25-tetraoxa-2,4,16-trisilaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10,12,14,19(24),20,22,26(30),27,31-dodecaene (CID 160738916) is 2,2,4,4,16,16-hexamethyl-3,9,17,25-tetraoxa-2,4,16-trisilaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10,12,14,19(24),20,22,26(30),27,31-dodecaene.
What is the SMILES notation for 2,2,4,4,16,16-hexamethyl-3,9,17,25-tetraoxa-2,4,16-trisilaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10,12,14,19(24),20,22,26(30),27,31-dodecaene?
The canonical SMILES for 2,2,4,4,16,16-hexamethyl-3,9,17,25-tetraoxa-2,4,16-trisilaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10,12,14,19(24),20,22,26(30),27,31-dodecaene is C[Si]1(C)O[Si](C)(C)c2ccc3oc4c(cccc4c3c2)[Si](C)(C)OCc2cccc3c2oc2ccc1cc23.
What is the InChIKey of 2,2,4,4,16,16-hexamethyl-3,9,17,25-tetraoxa-2,4,16-trisilaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10,12,14,19(24),20,22,26(30),27,31-dodecaene?
The InChIKey is PFBYTNXIYCOLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32O4Si3/c1-36(2)21-13-15-27-25(17-21)23-10-7-9-20(30(23)33-27)19-32-38(5,6)29-12-8-11-24-26-18-22(37(3,4)35-36)14-16-28(26)34-31(24)29/h7-18H,19H2,1-6H3.
What are the key properties of 2,2,4,4,16,16-hexamethyl-3,9,17,25-tetraoxa-2,4,16-trisilaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10,12,14,19(24),20,22,26(30),27,31-dodecaene?
2,2,4,4,16,16-hexamethyl-3,9,17,25-tetraoxa-2,4,16-trisilaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10,12,14,19(24),20,22,26(30),27,31-dodecaene has a molecular weight of 552.85 g/mol, XLogP of 6.97, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,16,16-hexamethyl-3,9,17,25-tetraoxa-2,4,16-trisilaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10,12,14,19(24),20,22,26(30),27,31-dodecaene is sourced from PubChem (CID 160738916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).