(2-iodocyclododecyl)oxy-trimethylsilane

C15H31IOSi — CID 12624042

IUPAC(2-iodocyclododecyl)oxy-trimethylsilane
SMILESC[Si](C)(C)OC1CCCCCCCCCCC1I
InChIInChI=1S/C15H31IOSi/c1-18(2,3)17-15-13-11-9-7-5-4-6-8-10-12-14(15)16/h14-15H,4-13H2,1-3H3
InChIKeyVWRHWBFXGSUGKF-UHFFFAOYSA-N
MW382.40 g/mol
LogP5.92
Rot. Bonds2

About (2-iodocyclododecyl)oxy-trimethylsilane

(2-iodocyclododecyl)oxy-trimethylsilane (PubChem CID 12624042) has the molecular formula C15H31IOSi and a molecular weight of 382.40 g/mol. Its IUPAC name is (2-iodocyclododecyl)oxy-trimethylsilane.

Molecular Properties

Compound Name(2-iodocyclododecyl)oxy-trimethylsilane
PubChem CID12624042
Molecular FormulaC15H31IOSi
Molecular Weight382.40 g/mol
Exact Mass382.12
IUPAC Name(2-iodocyclododecyl)oxy-trimethylsilane
SMILESC[Si](C)(C)OC1CCCCCCCCCCC1I
InChIInChI=1S/C15H31IOSi/c1-18(2,3)17-15-13-11-9-7-5-4-6-8-10-12-14(15)16/h14-15H,4-13H2,1-3H3
InChIKeyVWRHWBFXGSUGKF-UHFFFAOYSA-N
XLogP5.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.40
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-iodocyclododecyl)oxy-trimethylsilane?
The IUPAC name of (2-iodocyclododecyl)oxy-trimethylsilane (CID 12624042) is (2-iodocyclododecyl)oxy-trimethylsilane.
What is the SMILES notation for (2-iodocyclododecyl)oxy-trimethylsilane?
The canonical SMILES for (2-iodocyclododecyl)oxy-trimethylsilane is C[Si](C)(C)OC1CCCCCCCCCCC1I.
What is the InChIKey of (2-iodocyclododecyl)oxy-trimethylsilane?
The InChIKey is VWRHWBFXGSUGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31IOSi/c1-18(2,3)17-15-13-11-9-7-5-4-6-8-10-12-14(15)16/h14-15H,4-13H2,1-3H3.
What are the key properties of (2-iodocyclododecyl)oxy-trimethylsilane?
(2-iodocyclododecyl)oxy-trimethylsilane has a molecular weight of 382.40 g/mol, XLogP of 5.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodocyclododecyl)oxy-trimethylsilane is sourced from PubChem (CID 12624042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).