(1-iodo-5,5-dimethylnon-2-en-4-yl)oxy-trimethylsilane

C14H29IOSi — CID 54064035

IUPAC(1-iodo-5,5-dimethylnon-2-en-4-yl)oxy-trimethylsilane
SMILESCCCCC(C)(C)C(C=CCI)O[Si](C)(C)C
InChIInChI=1S/C14H29IOSi/c1-7-8-11-14(2,3)13(10-9-12-15)16-17(4,5)6/h9-10,13H,7-8,11-12H2,1-6H3
InChIKeyMBSFRTHUAHCMKI-UHFFFAOYSA-N
MW368.38 g/mol
LogP5.41
Rot. Bonds8

About (1-iodo-5,5-dimethylnon-2-en-4-yl)oxy-trimethylsilane

(1-iodo-5,5-dimethylnon-2-en-4-yl)oxy-trimethylsilane (PubChem CID 54064035) has the molecular formula C14H29IOSi and a molecular weight of 368.38 g/mol. Its IUPAC name is (1-iodo-5,5-dimethylnon-2-en-4-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(1-iodo-5,5-dimethylnon-2-en-4-yl)oxy-trimethylsilane
PubChem CID54064035
Molecular FormulaC14H29IOSi
Molecular Weight368.38 g/mol
Exact Mass368.10
IUPAC Name(1-iodo-5,5-dimethylnon-2-en-4-yl)oxy-trimethylsilane
SMILESCCCCC(C)(C)C(C=CCI)O[Si](C)(C)C
InChIInChI=1S/C14H29IOSi/c1-7-8-11-14(2,3)13(10-9-12-15)16-17(4,5)6/h9-10,13H,7-8,11-12H2,1-6H3
InChIKeyMBSFRTHUAHCMKI-UHFFFAOYSA-N
XLogP5.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.38
LogP ≤ 55.41
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-iodo-5,5-dimethylnon-2-en-4-yl)oxy-trimethylsilane?
The IUPAC name of (1-iodo-5,5-dimethylnon-2-en-4-yl)oxy-trimethylsilane (CID 54064035) is (1-iodo-5,5-dimethylnon-2-en-4-yl)oxy-trimethylsilane.
What is the SMILES notation for (1-iodo-5,5-dimethylnon-2-en-4-yl)oxy-trimethylsilane?
The canonical SMILES for (1-iodo-5,5-dimethylnon-2-en-4-yl)oxy-trimethylsilane is CCCCC(C)(C)C(C=CCI)O[Si](C)(C)C.
What is the InChIKey of (1-iodo-5,5-dimethylnon-2-en-4-yl)oxy-trimethylsilane?
The InChIKey is MBSFRTHUAHCMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29IOSi/c1-7-8-11-14(2,3)13(10-9-12-15)16-17(4,5)6/h9-10,13H,7-8,11-12H2,1-6H3.
What are the key properties of (1-iodo-5,5-dimethylnon-2-en-4-yl)oxy-trimethylsilane?
(1-iodo-5,5-dimethylnon-2-en-4-yl)oxy-trimethylsilane has a molecular weight of 368.38 g/mol, XLogP of 5.41, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-iodo-5,5-dimethylnon-2-en-4-yl)oxy-trimethylsilane is sourced from PubChem (CID 54064035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).