dimethyl-(1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)-[(Z)-2-phenylethenyl]silane

C30H26Si — CID 102465203

IUPACdimethyl-(1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)-[(Z)-2-phenylethenyl]silane
SMILESC[Si](C)(/C=C\c1ccccc1)C12c3ccccc3C(c3ccccc31)c1ccccc12
InChIInChI=1S/C30H26Si/c1-31(2,21-20-22-12-4-3-5-13-22)30-26-17-9-6-14-23(26)29(24-15-7-10-18-27(24)30)25-16-8-11-19-28(25)30/h3-21,29H,1-2H3/b21-20-
InChIKeyPLWAGICXVJMFTM-MRCUWXFGSA-N
MW414.62 g/mol
LogP7.33
Rot. Bonds3

About dimethyl-(1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)-[(Z)-2-phenylethenyl]silane

dimethyl-(1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)-[(Z)-2-phenylethenyl]silane (PubChem CID 102465203) has the molecular formula C30H26Si and a molecular weight of 414.62 g/mol. Its IUPAC name is dimethyl-(1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)-[(Z)-2-phenylethenyl]silane.

Molecular Properties

Compound Namedimethyl-(1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)-[(Z)-2-phenylethenyl]silane
PubChem CID102465203
Molecular FormulaC30H26Si
Molecular Weight414.62 g/mol
Exact Mass414.18
IUPAC Namedimethyl-(1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)-[(Z)-2-phenylethenyl]silane
SMILESC[Si](C)(/C=C\c1ccccc1)C12c3ccccc3C(c3ccccc31)c1ccccc12
InChIInChI=1S/C30H26Si/c1-31(2,21-20-22-12-4-3-5-13-22)30-26-17-9-6-14-23(26)29(24-15-7-10-18-27(24)30)25-16-8-11-19-28(25)30/h3-21,29H,1-2H3/b21-20-
InChIKeyPLWAGICXVJMFTM-MRCUWXFGSA-N
XLogP7.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.62
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dimethyl-(1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)-[(Z)-2-phenylethenyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl-(1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)-[(Z)-2-phenylethenyl]silane?
The IUPAC name of dimethyl-(1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)-[(Z)-2-phenylethenyl]silane (CID 102465203) is dimethyl-(1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)-[(Z)-2-phenylethenyl]silane.
What is the SMILES notation for dimethyl-(1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)-[(Z)-2-phenylethenyl]silane?
The canonical SMILES for dimethyl-(1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)-[(Z)-2-phenylethenyl]silane is C[Si](C)(/C=C\c1ccccc1)C12c3ccccc3C(c3ccccc31)c1ccccc12.
What is the InChIKey of dimethyl-(1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)-[(Z)-2-phenylethenyl]silane?
The InChIKey is PLWAGICXVJMFTM-MRCUWXFGSA-N. The full InChI is InChI=1S/C30H26Si/c1-31(2,21-20-22-12-4-3-5-13-22)30-26-17-9-6-14-23(26)29(24-15-7-10-18-27(24)30)25-16-8-11-19-28(25)30/h3-21,29H,1-2H3/b21-20-.
What are the key properties of dimethyl-(1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)-[(Z)-2-phenylethenyl]silane?
dimethyl-(1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)-[(Z)-2-phenylethenyl]silane has a molecular weight of 414.62 g/mol, XLogP of 7.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)-[(Z)-2-phenylethenyl]silane is sourced from PubChem (CID 102465203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).