(2-hexyl-1-iodo-4-phenyldeca-1,3-dienyl)-trimethylsilane

C25H41ISi — CID 71417747

IUPAC(2-hexyl-1-iodo-4-phenyldeca-1,3-dienyl)-trimethylsilane
SMILESCCCCCCC(=CC(CCCCCC)=C(I)[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C25H41ISi/c1-6-8-10-13-19-23(22-17-15-12-16-18-22)21-24(20-14-11-9-7-2)25(26)27(3,4)5/h12,15-18,21H,6-11,13-14,19-20H2,1-5H3
InChIKeyXAHMHZHUKVZZFC-UHFFFAOYSA-N
MW496.59 g/mol
LogP9.58
Rot. Bonds13

About (2-hexyl-1-iodo-4-phenyldeca-1,3-dienyl)-trimethylsilane

(2-hexyl-1-iodo-4-phenyldeca-1,3-dienyl)-trimethylsilane (PubChem CID 71417747) has the molecular formula C25H41ISi and a molecular weight of 496.59 g/mol. Its IUPAC name is (2-hexyl-1-iodo-4-phenyldeca-1,3-dienyl)-trimethylsilane.

Molecular Properties

Compound Name(2-hexyl-1-iodo-4-phenyldeca-1,3-dienyl)-trimethylsilane
PubChem CID71417747
Molecular FormulaC25H41ISi
Molecular Weight496.59 g/mol
Exact Mass496.20
IUPAC Name(2-hexyl-1-iodo-4-phenyldeca-1,3-dienyl)-trimethylsilane
SMILESCCCCCCC(=CC(CCCCCC)=C(I)[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C25H41ISi/c1-6-8-10-13-19-23(22-17-15-12-16-18-22)21-24(20-14-11-9-7-2)25(26)27(3,4)5/h12,15-18,21H,6-11,13-14,19-20H2,1-5H3
InChIKeyXAHMHZHUKVZZFC-UHFFFAOYSA-N
XLogP9.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.59
LogP ≤ 59.58
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z,4E)-2-hexyl-4-[iodo(trimethylsilyl)methylidene]-1-phenyldec-2-en-1-ol
CID 177406293
[(Z)-1-methylsulfanylhept-1-en-2-yl]benzene
CID 11672996
[(Z)-non-3-en-4-yl]benzene
CID 101008148
[(Z)-1-methoxytridec-1-en-2-yl]benzene
CID 101375240
[(2E,4E)-5-butyl-3-hexylundeca-2,4-dien-2-yl]benzene
CID 11257173
[(E)-hept-2-en-3-yl]benzene
CID 14568345
8-phenyltetradec-7-en-7-ylbenzene
CID 141438246
(2Z)-2-(1-phenylethylidene)heptadecanal
CID 142767247
1-phenylheptadecan-1-one
CID 577626
N'-heptanoylbenzohydrazide
CID 4218130
N'-nonanoylbenzohydrazide
CID 5163159
N'-octanoylbenzohydrazide
CID 4227469

Frequently Asked Questions

What is the IUPAC name of (2-hexyl-1-iodo-4-phenyldeca-1,3-dienyl)-trimethylsilane?
The IUPAC name of (2-hexyl-1-iodo-4-phenyldeca-1,3-dienyl)-trimethylsilane (CID 71417747) is (2-hexyl-1-iodo-4-phenyldeca-1,3-dienyl)-trimethylsilane.
What is the SMILES notation for (2-hexyl-1-iodo-4-phenyldeca-1,3-dienyl)-trimethylsilane?
The canonical SMILES for (2-hexyl-1-iodo-4-phenyldeca-1,3-dienyl)-trimethylsilane is CCCCCCC(=CC(CCCCCC)=C(I)[Si](C)(C)C)c1ccccc1.
What is the InChIKey of (2-hexyl-1-iodo-4-phenyldeca-1,3-dienyl)-trimethylsilane?
The InChIKey is XAHMHZHUKVZZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41ISi/c1-6-8-10-13-19-23(22-17-15-12-16-18-22)21-24(20-14-11-9-7-2)25(26)27(3,4)5/h12,15-18,21H,6-11,13-14,19-20H2,1-5H3.
What are the key properties of (2-hexyl-1-iodo-4-phenyldeca-1,3-dienyl)-trimethylsilane?
(2-hexyl-1-iodo-4-phenyldeca-1,3-dienyl)-trimethylsilane has a molecular weight of 496.59 g/mol, XLogP of 9.58, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hexyl-1-iodo-4-phenyldeca-1,3-dienyl)-trimethylsilane is sourced from PubChem (CID 71417747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).