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

C33H40O3Si — CID 102237623

IUPACtriethyl-[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
SMILESCC[Si](C#CC1=C(COC)C(C#CC2=C(COC)C(C#CC3=C(COC)C=CC3)=CC2)=CC1)(CC)CC
InChIInChI=1S/C33H40O3Si/c1-7-37(8-2,9-3)22-21-30-20-19-29(33(30)25-36-6)18-17-28-16-15-27(32(28)24-35-5)14-13-26-11-10-12-31(26)23-34-4/h10,12,15,19H,7-9,11,16,20,23-25H2,1-6H3
InChIKeyQTCSMVZUHGKPPR-UHFFFAOYSA-N
MW512.77 g/mol
LogP6.49
Rot. Bonds9

About 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

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 (PubChem CID 102237623) has the molecular formula C33H40O3Si and a molecular weight of 512.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametriethyl-[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
PubChem CID102237623
Molecular FormulaC33H40O3Si
Molecular Weight512.77 g/mol
Exact Mass512.27
IUPAC Nametriethyl-[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
SMILESCC[Si](C#CC1=C(COC)C(C#CC2=C(COC)C(C#CC3=C(COC)C=CC3)=CC2)=CC1)(CC)CC
InChIInChI=1S/C33H40O3Si/c1-7-37(8-2,9-3)22-21-30-20-19-29(33(30)25-36-6)18-17-28-16-15-27(32(28)24-35-5)14-13-26-11-10-12-31(26)23-34-4/h10,12,15,19H,7-9,11,16,20,23-25H2,1-6H3
InChIKeyQTCSMVZUHGKPPR-UHFFFAOYSA-N
XLogP6.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.77
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Triethyl-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]silane
CID 102237617
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
1-[2-[3-Ethynyl-2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]-2-(methoxymethyl)-3-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene
CID 102237624
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
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
Triethyl-[2-[2-(methoxymethyl)-3-(2-triethylsilylethynyl)cyclopenta-1,3-dien-1-yl]ethynyl]silane
CID 102237629
2-(Methoxymethyl)-1,3-bis[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene
CID 102237631
tri(propan-2-yl)-[(3Z)-3-[(4Z)-4-[5-tri(propan-2-yl)silylpent-1-en-4-yn-3-ylidene]oxolan-3-ylidene]prop-1-ynyl]silane
CID 102485688
[(E)-5-methoxy-3-(3-methoxyprop-1-en-2-yl)pent-3-en-1-ynyl]-trimethylsilane
CID 177459648

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC[Si](C#CC1=C(COC)C(C#CC2=C(COC)C(C#CC3=C(COC)C=CC3)=CC2)=CC1)(CC)CC.
What is the InChIKey of 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?
The InChIKey is QTCSMVZUHGKPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40O3Si/c1-7-37(8-2,9-3)22-21-30-20-19-29(33(30)25-36-6)18-17-28-16-15-27(32(28)24-35-5)14-13-26-11-10-12-31(26)23-34-4/h10,12,15,19H,7-9,11,16,20,23-25H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 512.77 g/mol, XLogP of 6.49, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 102237623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).