methyl-bis(9-methyldispiro[5.0.57.36]pentadeca-2,4,8,10-tetraen-14-yl)-octylsilane

C41H58Si — CID 18725332

IUPACmethyl-bis(9-methyldispiro[5.0.57.36]pentadeca-2,4,8,10-tetraen-14-yl)-octylsilane
SMILESCCCCCCCC[Si](C)(C1CC2(C=CC=CC2)C2(C=C(C)C=CC2)C1)C1CC2(C=CC=CC2)C2(C=C(C)C=CC2)C1
InChIInChI=1S/C41H58Si/c1-5-6-7-8-9-16-27-42(4,36-30-38(21-12-10-13-22-38)40(32-36)25-17-19-34(2)28-40)37-31-39(23-14-11-15-24-39)41(33-37)26-18-20-35(3)29-41/h10-15,17-21,23,28-29,36-37H,5-9,16,22,24-27,30-33H2,1-4H3
InChIKeyKXCJRKVPOIGLGG-UHFFFAOYSA-N
MW579.00 g/mol
LogP12.54
Rot. Bonds9

About methyl-bis(9-methyldispiro[5.0.57.36]pentadeca-2,4,8,10-tetraen-14-yl)-octylsilane

methyl-bis(9-methyldispiro[5.0.57.36]pentadeca-2,4,8,10-tetraen-14-yl)-octylsilane (PubChem CID 18725332) has the molecular formula C41H58Si and a molecular weight of 579.00 g/mol. Its IUPAC name is methyl-bis(9-methyldispiro[5.0.57.36]pentadeca-2,4,8,10-tetraen-14-yl)-octylsilane.

Molecular Properties

Compound Namemethyl-bis(9-methyldispiro[5.0.57.36]pentadeca-2,4,8,10-tetraen-14-yl)-octylsilane
PubChem CID18725332
Molecular FormulaC41H58Si
Molecular Weight579.00 g/mol
Exact Mass578.43
IUPAC Namemethyl-bis(9-methyldispiro[5.0.57.36]pentadeca-2,4,8,10-tetraen-14-yl)-octylsilane
SMILESCCCCCCCC[Si](C)(C1CC2(C=CC=CC2)C2(C=C(C)C=CC2)C1)C1CC2(C=CC=CC2)C2(C=C(C)C=CC2)C1
InChIInChI=1S/C41H58Si/c1-5-6-7-8-9-16-27-42(4,36-30-38(21-12-10-13-22-38)40(32-36)25-17-19-34(2)28-40)37-31-39(23-14-11-15-24-39)41(33-37)26-18-20-35(3)29-41/h10-15,17-21,23,28-29,36-37H,5-9,16,22,24-27,30-33H2,1-4H3
InChIKeyKXCJRKVPOIGLGG-UHFFFAOYSA-N
XLogP12.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.00
LogP ≤ 512.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-bis(9-methyldispiro[5.0.57.36]pentadeca-2,4,8,10-tetraen-14-yl)-octylsilane?
The IUPAC name of methyl-bis(9-methyldispiro[5.0.57.36]pentadeca-2,4,8,10-tetraen-14-yl)-octylsilane (CID 18725332) is methyl-bis(9-methyldispiro[5.0.57.36]pentadeca-2,4,8,10-tetraen-14-yl)-octylsilane.
What is the SMILES notation for methyl-bis(9-methyldispiro[5.0.57.36]pentadeca-2,4,8,10-tetraen-14-yl)-octylsilane?
The canonical SMILES for methyl-bis(9-methyldispiro[5.0.57.36]pentadeca-2,4,8,10-tetraen-14-yl)-octylsilane is CCCCCCCC[Si](C)(C1CC2(C=CC=CC2)C2(C=C(C)C=CC2)C1)C1CC2(C=CC=CC2)C2(C=C(C)C=CC2)C1.
What is the InChIKey of methyl-bis(9-methyldispiro[5.0.57.36]pentadeca-2,4,8,10-tetraen-14-yl)-octylsilane?
The InChIKey is KXCJRKVPOIGLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H58Si/c1-5-6-7-8-9-16-27-42(4,36-30-38(21-12-10-13-22-38)40(32-36)25-17-19-34(2)28-40)37-31-39(23-14-11-15-24-39)41(33-37)26-18-20-35(3)29-41/h10-15,17-21,23,28-29,36-37H,5-9,16,22,24-27,30-33H2,1-4H3.
What are the key properties of methyl-bis(9-methyldispiro[5.0.57.36]pentadeca-2,4,8,10-tetraen-14-yl)-octylsilane?
methyl-bis(9-methyldispiro[5.0.57.36]pentadeca-2,4,8,10-tetraen-14-yl)-octylsilane has a molecular weight of 579.00 g/mol, XLogP of 12.54, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-bis(9-methyldispiro[5.0.57.36]pentadeca-2,4,8,10-tetraen-14-yl)-octylsilane is sourced from PubChem (CID 18725332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).