triethyl-[(1R,2R)-4-iodo-3-phenyl-2-prop-1-en-2-ylcyclopent-3-en-1-yl]oxysilane

C20H29IOSi — CID 102261140

IUPACtriethyl-[(1R,2R)-4-iodo-3-phenyl-2-prop-1-en-2-ylcyclopent-3-en-1-yl]oxysilane
SMILESC=C(C)[C@@H]1C(c2ccccc2)=C(I)C[C@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C20H29IOSi/c1-6-23(7-2,8-3)22-18-14-17(21)20(19(18)15(4)5)16-12-10-9-11-13-16/h9-13,18-19H,4,6-8,14H2,1-3,5H3/t18-,19+/m1/s1
InChIKeyCBSNPJZLTDNYML-MOPGFXCFSA-N
MW440.44 g/mol
LogP6.82
Rot. Bonds7

About triethyl-[(1R,2R)-4-iodo-3-phenyl-2-prop-1-en-2-ylcyclopent-3-en-1-yl]oxysilane

triethyl-[(1R,2R)-4-iodo-3-phenyl-2-prop-1-en-2-ylcyclopent-3-en-1-yl]oxysilane (PubChem CID 102261140) has the molecular formula C20H29IOSi and a molecular weight of 440.44 g/mol. Its IUPAC name is triethyl-[(1R,2R)-4-iodo-3-phenyl-2-prop-1-en-2-ylcyclopent-3-en-1-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(1R,2R)-4-iodo-3-phenyl-2-prop-1-en-2-ylcyclopent-3-en-1-yl]oxysilane
PubChem CID102261140
Molecular FormulaC20H29IOSi
Molecular Weight440.44 g/mol
Exact Mass440.10
IUPAC Nametriethyl-[(1R,2R)-4-iodo-3-phenyl-2-prop-1-en-2-ylcyclopent-3-en-1-yl]oxysilane
SMILESC=C(C)[C@@H]1C(c2ccccc2)=C(I)C[C@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C20H29IOSi/c1-6-23(7-2,8-3)22-18-14-17(21)20(19(18)15(4)5)16-12-10-9-11-13-16/h9-13,18-19H,4,6-8,14H2,1-3,5H3/t18-,19+/m1/s1
InChIKeyCBSNPJZLTDNYML-MOPGFXCFSA-N
XLogP6.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.44
LogP ≤ 56.82
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethyl-[(1R,2R)-4-iodo-3-phenyl-2-prop-1-en-2-ylcyclopent-3-en-1-yl]oxysilane?
The IUPAC name of triethyl-[(1R,2R)-4-iodo-3-phenyl-2-prop-1-en-2-ylcyclopent-3-en-1-yl]oxysilane (CID 102261140) is triethyl-[(1R,2R)-4-iodo-3-phenyl-2-prop-1-en-2-ylcyclopent-3-en-1-yl]oxysilane.
What is the SMILES notation for triethyl-[(1R,2R)-4-iodo-3-phenyl-2-prop-1-en-2-ylcyclopent-3-en-1-yl]oxysilane?
The canonical SMILES for triethyl-[(1R,2R)-4-iodo-3-phenyl-2-prop-1-en-2-ylcyclopent-3-en-1-yl]oxysilane is C=C(C)[C@@H]1C(c2ccccc2)=C(I)C[C@H]1O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(1R,2R)-4-iodo-3-phenyl-2-prop-1-en-2-ylcyclopent-3-en-1-yl]oxysilane?
The InChIKey is CBSNPJZLTDNYML-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H29IOSi/c1-6-23(7-2,8-3)22-18-14-17(21)20(19(18)15(4)5)16-12-10-9-11-13-16/h9-13,18-19H,4,6-8,14H2,1-3,5H3/t18-,19+/m1/s1.
What are the key properties of triethyl-[(1R,2R)-4-iodo-3-phenyl-2-prop-1-en-2-ylcyclopent-3-en-1-yl]oxysilane?
triethyl-[(1R,2R)-4-iodo-3-phenyl-2-prop-1-en-2-ylcyclopent-3-en-1-yl]oxysilane has a molecular weight of 440.44 g/mol, XLogP of 6.82, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(1R,2R)-4-iodo-3-phenyl-2-prop-1-en-2-ylcyclopent-3-en-1-yl]oxysilane is sourced from PubChem (CID 102261140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).