12-iodododeca-2,4,9,11-tetraynyl-tri(propan-2-yl)silane

C21H29ISi — CID 11495799

IUPAC12-iodododeca-2,4,9,11-tetraynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](CC#CC#CCCCC#CC#CI)(C(C)C)C(C)C
InChIInChI=1S/C21H29ISi/c1-19(2)23(20(3)4,21(5)6)18-16-14-12-10-8-7-9-11-13-15-17-22/h19-21H,7-9,18H2,1-6H3
InChIKeyZXNGYDVLQJGGMK-UHFFFAOYSA-N
MW436.45 g/mol
LogP6.24
Rot. Bonds6

About 12-iodododeca-2,4,9,11-tetraynyl-tri(propan-2-yl)silane

12-iodododeca-2,4,9,11-tetraynyl-tri(propan-2-yl)silane (PubChem CID 11495799) has the molecular formula C21H29ISi and a molecular weight of 436.45 g/mol. Its IUPAC name is 12-iodododeca-2,4,9,11-tetraynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name12-iodododeca-2,4,9,11-tetraynyl-tri(propan-2-yl)silane
PubChem CID11495799
Molecular FormulaC21H29ISi
Molecular Weight436.45 g/mol
Exact Mass436.11
IUPAC Name12-iodododeca-2,4,9,11-tetraynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](CC#CC#CCCCC#CC#CI)(C(C)C)C(C)C
InChIInChI=1S/C21H29ISi/c1-19(2)23(20(3)4,21(5)6)18-16-14-12-10-8-7-9-11-13-15-17-22/h19-21H,7-9,18H2,1-6H3
InChIKeyZXNGYDVLQJGGMK-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.45
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 12-iodododeca-2,4,9,11-tetraynyl-tri(propan-2-yl)silane?
The IUPAC name of 12-iodododeca-2,4,9,11-tetraynyl-tri(propan-2-yl)silane (CID 11495799) is 12-iodododeca-2,4,9,11-tetraynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 12-iodododeca-2,4,9,11-tetraynyl-tri(propan-2-yl)silane?
The canonical SMILES for 12-iodododeca-2,4,9,11-tetraynyl-tri(propan-2-yl)silane is CC(C)[Si](CC#CC#CCCCC#CC#CI)(C(C)C)C(C)C.
What is the InChIKey of 12-iodododeca-2,4,9,11-tetraynyl-tri(propan-2-yl)silane?
The InChIKey is ZXNGYDVLQJGGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ISi/c1-19(2)23(20(3)4,21(5)6)18-16-14-12-10-8-7-9-11-13-15-17-22/h19-21H,7-9,18H2,1-6H3.
What are the key properties of 12-iodododeca-2,4,9,11-tetraynyl-tri(propan-2-yl)silane?
12-iodododeca-2,4,9,11-tetraynyl-tri(propan-2-yl)silane has a molecular weight of 436.45 g/mol, XLogP of 6.24, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-iodododeca-2,4,9,11-tetraynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 11495799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).