2,2,8,8,14,14,20,20-octamethyl-2,8,14,20-tetrasilapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,6,9,12,15,18,21-octaene-5,11,17,23,25,26,27,28-octone

C32H32O8Si4 — CID 5251414

IUPAC2,2,8,8,14,14,20,20-octamethyl-2,8,14,20-tetrasilapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,6,9,12,15,18,21-octaene-5,11,17,23,25,26,27,28-octone
SMILESC[Si]1(C)C2=CC(=O)C=C(C2=O)[Si](C)(C)C2=CC(=O)C=C(C2=O)[Si](C)(C)C2=CC(=O)C=C(C2=O)[Si](C)(C)C2=CC(=O)C=C1C2=O
InChIInChI=1S/C32H32O8Si4/c1-41(2)21-9-17(33)11-23(29(21)37)42(3,4)25-13-19(35)15-27(31(25)39)44(7,8)28-16-20(36)14-26(32(28)40)43(5,6)24-12-18(34)10-22(41)30(24)38/h9-16H,1-8H3
InChIKeyKHFSLQXBVCKECX-UHFFFAOYSA-N
MW656.94 g/mol
LogP3.17
Rot. Bonds

About 2,2,8,8,14,14,20,20-octamethyl-2,8,14,20-tetrasilapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,6,9,12,15,18,21-octaene-5,11,17,23,25,26,27,28-octone

2,2,8,8,14,14,20,20-octamethyl-2,8,14,20-tetrasilapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,6,9,12,15,18,21-octaene-5,11,17,23,25,26,27,28-octone (PubChem CID 5251414) has the molecular formula C32H32O8Si4 and a molecular weight of 656.94 g/mol. Its IUPAC name is 2,2,8,8,14,14,20,20-octamethyl-2,8,14,20-tetrasilapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,6,9,12,15,18,21-octaene-5,11,17,23,25,26,27,28-octone.

Molecular Properties

Compound Name2,2,8,8,14,14,20,20-octamethyl-2,8,14,20-tetrasilapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,6,9,12,15,18,21-octaene-5,11,17,23,25,26,27,28-octone
PubChem CID5251414
Molecular FormulaC32H32O8Si4
Molecular Weight656.94 g/mol
Exact Mass656.12
IUPAC Name2,2,8,8,14,14,20,20-octamethyl-2,8,14,20-tetrasilapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,6,9,12,15,18,21-octaene-5,11,17,23,25,26,27,28-octone
SMILESC[Si]1(C)C2=CC(=O)C=C(C2=O)[Si](C)(C)C2=CC(=O)C=C(C2=O)[Si](C)(C)C2=CC(=O)C=C(C2=O)[Si](C)(C)C2=CC(=O)C=C1C2=O
InChIInChI=1S/C32H32O8Si4/c1-41(2)21-9-17(33)11-23(29(21)37)42(3,4)25-13-19(35)15-27(31(25)39)44(7,8)28-16-20(36)14-26(32(28)40)43(5,6)24-12-18(34)10-22(41)30(24)38/h9-16H,1-8H3
InChIKeyKHFSLQXBVCKECX-UHFFFAOYSA-N
XLogP3.17
TPSA136.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500656.94
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2,2,8,8,14,14,20,20-octamethyl-2,8,14,20-tetrasilapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,6,9,12,15,18,21-octaene-5,11,17,23,25,26,27,28-octone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,8,8,14,14,20,20-octamethyl-2,8,14,20-tetrasilapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,6,9,12,15,18,21-octaene-5,11,17,23,25,26,27,28-octone?
The IUPAC name of 2,2,8,8,14,14,20,20-octamethyl-2,8,14,20-tetrasilapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,6,9,12,15,18,21-octaene-5,11,17,23,25,26,27,28-octone (CID 5251414) is 2,2,8,8,14,14,20,20-octamethyl-2,8,14,20-tetrasilapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,6,9,12,15,18,21-octaene-5,11,17,23,25,26,27,28-octone.
What is the SMILES notation for 2,2,8,8,14,14,20,20-octamethyl-2,8,14,20-tetrasilapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,6,9,12,15,18,21-octaene-5,11,17,23,25,26,27,28-octone?
The canonical SMILES for 2,2,8,8,14,14,20,20-octamethyl-2,8,14,20-tetrasilapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,6,9,12,15,18,21-octaene-5,11,17,23,25,26,27,28-octone is C[Si]1(C)C2=CC(=O)C=C(C2=O)[Si](C)(C)C2=CC(=O)C=C(C2=O)[Si](C)(C)C2=CC(=O)C=C(C2=O)[Si](C)(C)C2=CC(=O)C=C1C2=O.
What is the InChIKey of 2,2,8,8,14,14,20,20-octamethyl-2,8,14,20-tetrasilapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,6,9,12,15,18,21-octaene-5,11,17,23,25,26,27,28-octone?
The InChIKey is KHFSLQXBVCKECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32O8Si4/c1-41(2)21-9-17(33)11-23(29(21)37)42(3,4)25-13-19(35)15-27(31(25)39)44(7,8)28-16-20(36)14-26(32(28)40)43(5,6)24-12-18(34)10-22(41)30(24)38/h9-16H,1-8H3.
What are the key properties of 2,2,8,8,14,14,20,20-octamethyl-2,8,14,20-tetrasilapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,6,9,12,15,18,21-octaene-5,11,17,23,25,26,27,28-octone?
2,2,8,8,14,14,20,20-octamethyl-2,8,14,20-tetrasilapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,6,9,12,15,18,21-octaene-5,11,17,23,25,26,27,28-octone has a molecular weight of 656.94 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,8,8,14,14,20,20-octamethyl-2,8,14,20-tetrasilapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,6,9,12,15,18,21-octaene-5,11,17,23,25,26,27,28-octone is sourced from PubChem (CID 5251414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).