9,9,10,10,11,11,12,12,13,13,14,14-dodecamethyl-9,10,11,12,13,14-hexasilapentacyclo[17.1.1.11,19.12,4.12,4]tetracosane

C30H64Si6 — CID 101267831

IUPAC9,9,10,10,11,11,12,12,13,13,14,14-dodecamethyl-9,10,11,12,13,14-hexasilapentacyclo[17.1.1.11,19.12,4.12,4]tetracosane
SMILESC[Si]1(C)CCCCC23CC(C2)(C3)C23CC(CCCC[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si]1(C)C)(C2)C3
InChIInChI=1S/C30H64Si6/c1-31(2)19-15-13-17-27-21-29(22-27,23-27)30-24-28(25-30,26-30)18-14-16-20-32(3,4)34(7,8)36(11,12)35(9,10)33(31,5)6/h13-26H2,1-12H3
InChIKeyQBIPTWUSRXGLNH-UHFFFAOYSA-N
MW593.36 g/mol
LogP10.32
Rot. Bonds

About 9,9,10,10,11,11,12,12,13,13,14,14-dodecamethyl-9,10,11,12,13,14-hexasilapentacyclo[17.1.1.11,19.12,4.12,4]tetracosane

9,9,10,10,11,11,12,12,13,13,14,14-dodecamethyl-9,10,11,12,13,14-hexasilapentacyclo[17.1.1.11,19.12,4.12,4]tetracosane (PubChem CID 101267831) has the molecular formula C30H64Si6 and a molecular weight of 593.36 g/mol. Its IUPAC name is 9,9,10,10,11,11,12,12,13,13,14,14-dodecamethyl-9,10,11,12,13,14-hexasilapentacyclo[17.1.1.11,19.12,4.12,4]tetracosane.

Molecular Properties

Compound Name9,9,10,10,11,11,12,12,13,13,14,14-dodecamethyl-9,10,11,12,13,14-hexasilapentacyclo[17.1.1.11,19.12,4.12,4]tetracosane
PubChem CID101267831
Molecular FormulaC30H64Si6
Molecular Weight593.36 g/mol
Exact Mass592.36
IUPAC Name9,9,10,10,11,11,12,12,13,13,14,14-dodecamethyl-9,10,11,12,13,14-hexasilapentacyclo[17.1.1.11,19.12,4.12,4]tetracosane
SMILESC[Si]1(C)CCCCC23CC(C2)(C3)C23CC(CCCC[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si]1(C)C)(C2)C3
InChIInChI=1S/C30H64Si6/c1-31(2)19-15-13-17-27-21-29(22-27,23-27)30-24-28(25-30,26-30)18-14-16-20-32(3,4)34(7,8)36(11,12)35(9,10)33(31,5)6/h13-26H2,1-12H3
InChIKeyQBIPTWUSRXGLNH-UHFFFAOYSA-N
XLogP10.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.36
LogP ≤ 510.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9,9,10,10,11,11,12,12,13,13,14,14-dodecamethyl-9,10,11,12,13,14-hexasilapentacyclo[17.1.1.11,19.12,4.12,4]tetracosane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,9,10,10,11,11,12,12,13,13,14,14-dodecamethyl-9,10,11,12,13,14-hexasilapentacyclo[17.1.1.11,19.12,4.12,4]tetracosane?
The IUPAC name of 9,9,10,10,11,11,12,12,13,13,14,14-dodecamethyl-9,10,11,12,13,14-hexasilapentacyclo[17.1.1.11,19.12,4.12,4]tetracosane (CID 101267831) is 9,9,10,10,11,11,12,12,13,13,14,14-dodecamethyl-9,10,11,12,13,14-hexasilapentacyclo[17.1.1.11,19.12,4.12,4]tetracosane.
What is the SMILES notation for 9,9,10,10,11,11,12,12,13,13,14,14-dodecamethyl-9,10,11,12,13,14-hexasilapentacyclo[17.1.1.11,19.12,4.12,4]tetracosane?
The canonical SMILES for 9,9,10,10,11,11,12,12,13,13,14,14-dodecamethyl-9,10,11,12,13,14-hexasilapentacyclo[17.1.1.11,19.12,4.12,4]tetracosane is C[Si]1(C)CCCCC23CC(C2)(C3)C23CC(CCCC[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si]1(C)C)(C2)C3.
What is the InChIKey of 9,9,10,10,11,11,12,12,13,13,14,14-dodecamethyl-9,10,11,12,13,14-hexasilapentacyclo[17.1.1.11,19.12,4.12,4]tetracosane?
The InChIKey is QBIPTWUSRXGLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H64Si6/c1-31(2)19-15-13-17-27-21-29(22-27,23-27)30-24-28(25-30,26-30)18-14-16-20-32(3,4)34(7,8)36(11,12)35(9,10)33(31,5)6/h13-26H2,1-12H3.
What are the key properties of 9,9,10,10,11,11,12,12,13,13,14,14-dodecamethyl-9,10,11,12,13,14-hexasilapentacyclo[17.1.1.11,19.12,4.12,4]tetracosane?
9,9,10,10,11,11,12,12,13,13,14,14-dodecamethyl-9,10,11,12,13,14-hexasilapentacyclo[17.1.1.11,19.12,4.12,4]tetracosane has a molecular weight of 593.36 g/mol, XLogP of 10.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,10,10,11,11,12,12,13,13,14,14-dodecamethyl-9,10,11,12,13,14-hexasilapentacyclo[17.1.1.11,19.12,4.12,4]tetracosane is sourced from PubChem (CID 101267831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).