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

C15H23IOSi — CID 102237618

IUPACtriethyl-[2-[3-iodo-2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]silane
SMILESCC[Si](C#CC1=C(COC)C(I)=CC1)(CC)CC
InChIInChI=1S/C15H23IOSi/c1-5-18(6-2,7-3)11-10-13-8-9-15(16)14(13)12-17-4/h9H,5-8,12H2,1-4H3
InChIKeyPBPXPFWVXMTOOG-UHFFFAOYSA-N
MW374.34 g/mol
LogP4.70
Rot. Bonds5

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

triethyl-[2-[3-iodo-2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]silane (PubChem CID 102237618) has the molecular formula C15H23IOSi and a molecular weight of 374.34 g/mol. Its IUPAC name is triethyl-[2-[3-iodo-2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]silane.

Molecular Properties

Compound Nametriethyl-[2-[3-iodo-2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]silane
PubChem CID102237618
Molecular FormulaC15H23IOSi
Molecular Weight374.34 g/mol
Exact Mass374.06
IUPAC Nametriethyl-[2-[3-iodo-2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]silane
SMILESCC[Si](C#CC1=C(COC)C(I)=CC1)(CC)CC
InChIInChI=1S/C15H23IOSi/c1-5-18(6-2,7-3)11-10-13-8-9-15(16)14(13)12-17-4/h9H,5-8,12H2,1-4H3
InChIKeyPBPXPFWVXMTOOG-UHFFFAOYSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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
1-Ethynyl-3-iodo-2-(methoxymethyl)cyclopenta-1,3-diene
CID 102237619
Triethyl-[2-[2-(methoxymethyl)-3-(2-triethylsilylethynyl)cyclopenta-1,3-dien-1-yl]ethynyl]silane
CID 102237629

Frequently Asked Questions

What is the IUPAC name of triethyl-[2-[3-iodo-2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]silane?
The IUPAC name of triethyl-[2-[3-iodo-2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]silane (CID 102237618) is triethyl-[2-[3-iodo-2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]silane.
What is the SMILES notation for triethyl-[2-[3-iodo-2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]silane?
The canonical SMILES for triethyl-[2-[3-iodo-2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]silane is CC[Si](C#CC1=C(COC)C(I)=CC1)(CC)CC.
What is the InChIKey of triethyl-[2-[3-iodo-2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]silane?
The InChIKey is PBPXPFWVXMTOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23IOSi/c1-5-18(6-2,7-3)11-10-13-8-9-15(16)14(13)12-17-4/h9H,5-8,12H2,1-4H3.
What are the key properties of triethyl-[2-[3-iodo-2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]silane?
triethyl-[2-[3-iodo-2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]silane has a molecular weight of 374.34 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-[3-iodo-2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]silane is sourced from PubChem (CID 102237618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).