triethyl-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]silane

C42H48O4Si — CID 102237626

IUPACtriethyl-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]silane
SMILESCC[Si](C#CC1=C(COC)C(C#CC2=C(COC)C(C#CC3=C(COC)C(C#CC4=C(COC)C=CC4)=CC3)=CC2)=CC1)(CC)CC
InChIInChI=1S/C42H48O4Si/c1-8-47(9-2,10-3)27-26-38-25-24-37(42(38)31-46-7)23-22-36-21-20-35(41(36)30-45-6)19-18-34-17-16-33(40(34)29-44-5)15-14-32-12-11-13-39(32)28-43-4/h11,13,16,20,24H,8-10,12,17,21,25,28-31H2,1-7H3
InChIKeyPKDUDZKBZWCMGE-UHFFFAOYSA-N
MW644.93 g/mol
LogP7.77
Rot. Bonds11

About triethyl-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]silane

triethyl-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]silane (PubChem CID 102237626) has the molecular formula C42H48O4Si and a molecular weight of 644.93 g/mol. Its IUPAC name is triethyl-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]silane.

Molecular Properties

Compound Nametriethyl-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]silane
PubChem CID102237626
Molecular FormulaC42H48O4Si
Molecular Weight644.93 g/mol
Exact Mass644.33
IUPAC Nametriethyl-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]silane
SMILESCC[Si](C#CC1=C(COC)C(C#CC2=C(COC)C(C#CC3=C(COC)C(C#CC4=C(COC)C=CC4)=CC3)=CC2)=CC1)(CC)CC
InChIInChI=1S/C42H48O4Si/c1-8-47(9-2,10-3)27-26-38-25-24-37(42(38)31-46-7)23-22-36-21-20-35(41(36)30-45-6)19-18-34-17-16-33(40(34)29-44-5)15-14-32-12-11-13-39(32)28-43-4/h11,13,16,20,24H,8-10,12,17,21,25,28-31H2,1-7H3
InChIKeyPKDUDZKBZWCMGE-UHFFFAOYSA-N
XLogP7.77
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.93
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze triethyl-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]silane with MolForge

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Related Compounds

Triethyl-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]silane
CID 102237621
Triethyl-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]silane
CID 102237623
1-[2-[4-[2-[3-Ethynyl-2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]-5-(methoxymethyl)cyclopenta-1,4-dien-1-yl]ethynyl]-2-(methoxymethyl)-3-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene
CID 102237627
1-(Methoxymethyl)-4-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]-2-[4-[2-(methoxymethyl)-4-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,4-dien-1-yl]buta-1,3-diynyl]cyclopenta-1,3-diene
CID 102237628

Frequently Asked Questions

What is the IUPAC name of triethyl-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]silane?
The IUPAC name of triethyl-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]silane (CID 102237626) is triethyl-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]silane.
What is the SMILES notation for triethyl-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]silane?
The canonical SMILES for triethyl-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]silane is CC[Si](C#CC1=C(COC)C(C#CC2=C(COC)C(C#CC3=C(COC)C(C#CC4=C(COC)C=CC4)=CC3)=CC2)=CC1)(CC)CC.
What is the InChIKey of triethyl-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]silane?
The InChIKey is PKDUDZKBZWCMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H48O4Si/c1-8-47(9-2,10-3)27-26-38-25-24-37(42(38)31-46-7)23-22-36-21-20-35(41(36)30-45-6)19-18-34-17-16-33(40(34)29-44-5)15-14-32-12-11-13-39(32)28-43-4/h11,13,16,20,24H,8-10,12,17,21,25,28-31H2,1-7H3.
What are the key properties of triethyl-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]silane?
triethyl-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]silane has a molecular weight of 644.93 g/mol, XLogP of 7.77, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]silane is sourced from PubChem (CID 102237626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).