(Z,4E)-2-hexyl-4-[iodo(trimethylsilyl)methylidene]-1-phenyldec-2-en-1-ol

C26H43IOSi — CID 177406293

IUPAC(Z,4E)-2-hexyl-4-[iodo(trimethylsilyl)methylidene]-1-phenyldec-2-en-1-ol
SMILESCCCCCC/C(=C/C(CCCCCC)=C(/I)[Si](C)(C)C)C(O)c1ccccc1
InChIInChI=1S/C26H43IOSi/c1-6-8-10-13-19-23(25(28)22-17-15-12-16-18-22)21-24(20-14-11-9-7-2)26(27)29(3,4)5/h12,15-18,21,25,28H,6-11,13-14,19-20H2,1-5H3/b23-21-,26-24-
InChIKeyHRNOBTFTFKTZAT-NPGCFZLRSA-N
MW526.62 g/mol
LogP9.15
Rot. Bonds14

About (Z,4E)-2-hexyl-4-[iodo(trimethylsilyl)methylidene]-1-phenyldec-2-en-1-ol

(Z,4E)-2-hexyl-4-[iodo(trimethylsilyl)methylidene]-1-phenyldec-2-en-1-ol (PubChem CID 177406293) has the molecular formula C26H43IOSi and a molecular weight of 526.62 g/mol. Its IUPAC name is (Z,4E)-2-hexyl-4-[iodo(trimethylsilyl)methylidene]-1-phenyldec-2-en-1-ol.

Molecular Properties

Compound Name(Z,4E)-2-hexyl-4-[iodo(trimethylsilyl)methylidene]-1-phenyldec-2-en-1-ol
PubChem CID177406293
Molecular FormulaC26H43IOSi
Molecular Weight526.62 g/mol
Exact Mass526.21
IUPAC Name(Z,4E)-2-hexyl-4-[iodo(trimethylsilyl)methylidene]-1-phenyldec-2-en-1-ol
SMILESCCCCCC/C(=C/C(CCCCCC)=C(/I)[Si](C)(C)C)C(O)c1ccccc1
InChIInChI=1S/C26H43IOSi/c1-6-8-10-13-19-23(25(28)22-17-15-12-16-18-22)21-24(20-14-11-9-7-2)26(27)29(3,4)5/h12,15-18,21,25,28H,6-11,13-14,19-20H2,1-5H3/b23-21-,26-24-
InChIKeyHRNOBTFTFKTZAT-NPGCFZLRSA-N
XLogP9.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.62
LogP ≤ 59.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(2-hexyl-1-iodo-4-phenyldeca-1,3-dienyl)-trimethylsilane
CID 71417747
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(Z)-3-iodo-1-phenylnon-2-en-1-ol
CID 102087463
(2Z)-2-[(4-methylphenyl)sulfinylmethylidene]-1-phenylheptan-1-ol
CID 177426448
(E)-4-[dimethyl(phenyl)silyl]dec-3-en-2-ol
CID 10779898
3-methylidene-1-phenylnonan-1-ol
CID 102449396
cumene;octanoic acid
CID 174815768
(1S,2S)-1-hydroxy-2-methyl-1-phenylnonan-3-one
CID 102384202
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]tetradecanamide
CID 71684357
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]octanamide
CID 101078871
(1R)-1-phenyloctan-1-ol
CID 12794259

Frequently Asked Questions

What is the IUPAC name of (Z,4E)-2-hexyl-4-[iodo(trimethylsilyl)methylidene]-1-phenyldec-2-en-1-ol?
The IUPAC name of (Z,4E)-2-hexyl-4-[iodo(trimethylsilyl)methylidene]-1-phenyldec-2-en-1-ol (CID 177406293) is (Z,4E)-2-hexyl-4-[iodo(trimethylsilyl)methylidene]-1-phenyldec-2-en-1-ol.
What is the SMILES notation for (Z,4E)-2-hexyl-4-[iodo(trimethylsilyl)methylidene]-1-phenyldec-2-en-1-ol?
The canonical SMILES for (Z,4E)-2-hexyl-4-[iodo(trimethylsilyl)methylidene]-1-phenyldec-2-en-1-ol is CCCCCC/C(=C/C(CCCCCC)=C(/I)[Si](C)(C)C)C(O)c1ccccc1.
What is the InChIKey of (Z,4E)-2-hexyl-4-[iodo(trimethylsilyl)methylidene]-1-phenyldec-2-en-1-ol?
The InChIKey is HRNOBTFTFKTZAT-NPGCFZLRSA-N. The full InChI is InChI=1S/C26H43IOSi/c1-6-8-10-13-19-23(25(28)22-17-15-12-16-18-22)21-24(20-14-11-9-7-2)26(27)29(3,4)5/h12,15-18,21,25,28H,6-11,13-14,19-20H2,1-5H3/b23-21-,26-24-.
What are the key properties of (Z,4E)-2-hexyl-4-[iodo(trimethylsilyl)methylidene]-1-phenyldec-2-en-1-ol?
(Z,4E)-2-hexyl-4-[iodo(trimethylsilyl)methylidene]-1-phenyldec-2-en-1-ol has a molecular weight of 526.62 g/mol, XLogP of 9.15, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4E)-2-hexyl-4-[iodo(trimethylsilyl)methylidene]-1-phenyldec-2-en-1-ol is sourced from PubChem (CID 177406293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).