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

C24H32O2Si — CID 102237621

IUPACtriethyl-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)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=CC2)=CC1)(CC)CC
InChIInChI=1S/C24H32O2Si/c1-6-27(7-2,8-3)17-16-22-15-14-21(24(22)19-26-5)13-12-20-10-9-11-23(20)18-25-4/h9,11,14H,6-8,10,15,18-19H2,1-5H3
InChIKeyFSIFFTRWKVWFAZ-UHFFFAOYSA-N
MW380.60 g/mol
LogP5.22
Rot. Bonds7

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

triethyl-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]silane (PubChem CID 102237621) has the molecular formula C24H32O2Si and a molecular weight of 380.60 g/mol. Its IUPAC name is triethyl-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)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)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]silane
PubChem CID102237621
Molecular FormulaC24H32O2Si
Molecular Weight380.60 g/mol
Exact Mass380.22
IUPAC Nametriethyl-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)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=CC2)=CC1)(CC)CC
InChIInChI=1S/C24H32O2Si/c1-6-27(7-2,8-3)17-16-22-15-14-21(24(22)19-26-5)13-12-20-10-9-11-23(20)18-25-4/h9,11,14H,6-8,10,15,18-19H2,1-5H3
InChIKeyFSIFFTRWKVWFAZ-UHFFFAOYSA-N
XLogP5.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.60
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)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)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]silane (CID 102237621) is triethyl-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)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)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)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=CC2)=CC1)(CC)CC.
What is the InChIKey of triethyl-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]silane?
The InChIKey is FSIFFTRWKVWFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O2Si/c1-6-27(7-2,8-3)17-16-22-15-14-21(24(22)19-26-5)13-12-20-10-9-11-23(20)18-25-4/h9,11,14H,6-8,10,15,18-19H2,1-5H3.
What are the key properties of triethyl-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]silane?
triethyl-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]silane has a molecular weight of 380.60 g/mol, XLogP of 5.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]silane is sourced from PubChem (CID 102237621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).