(4Z,6Z)-4-hexyl-6-[iodo(trimethylsilyl)methylidene]dodeca-1,4-dien-3-ol

C22H41IOSi — CID 11167454

IUPAC(4Z,6Z)-4-hexyl-6-[iodo(trimethylsilyl)methylidene]dodeca-1,4-dien-3-ol
SMILESC=CC(O)/C(=C\C(CCCCCC)=C(/I)[Si](C)(C)C)CCCCCC
InChIInChI=1S/C22H41IOSi/c1-7-10-12-14-16-19(21(24)9-3)18-20(17-15-13-11-8-2)22(23)25(4,5)6/h9,18,21,24H,3,7-8,10-17H2,1-2,4-6H3/b19-18-,22-20+
InChIKeyNNWNIEFFOJKKFL-PCRAQWQMSA-N
MW476.56 g/mol
LogP7.97
Rot. Bonds14

About (4Z,6Z)-4-hexyl-6-[iodo(trimethylsilyl)methylidene]dodeca-1,4-dien-3-ol

(4Z,6Z)-4-hexyl-6-[iodo(trimethylsilyl)methylidene]dodeca-1,4-dien-3-ol (PubChem CID 11167454) has the molecular formula C22H41IOSi and a molecular weight of 476.56 g/mol. Its IUPAC name is (4Z,6Z)-4-hexyl-6-[iodo(trimethylsilyl)methylidene]dodeca-1,4-dien-3-ol.

Molecular Properties

Compound Name(4Z,6Z)-4-hexyl-6-[iodo(trimethylsilyl)methylidene]dodeca-1,4-dien-3-ol
PubChem CID11167454
Molecular FormulaC22H41IOSi
Molecular Weight476.56 g/mol
Exact Mass476.20
IUPAC Name(4Z,6Z)-4-hexyl-6-[iodo(trimethylsilyl)methylidene]dodeca-1,4-dien-3-ol
SMILESC=CC(O)/C(=C\C(CCCCCC)=C(/I)[Si](C)(C)C)CCCCCC
InChIInChI=1S/C22H41IOSi/c1-7-10-12-14-16-19(21(24)9-3)18-20(17-15-13-11-8-2)22(23)25(4,5)6/h9,18,21,24H,3,7-8,10-17H2,1-2,4-6H3/b19-18-,22-20+
InChIKeyNNWNIEFFOJKKFL-PCRAQWQMSA-N
XLogP7.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.56
LogP ≤ 57.97
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (4Z,6Z)-4-hexyl-6-[iodo(trimethylsilyl)methylidene]dodeca-1,4-dien-3-ol with MolForge

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Related Compounds

(E)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol
CID 12935867
(1E)-1-[(2E)-2-hexylidenecyclohexylidene]-1-trimethylsilyldecan-2-ol
CID 10739293
1-(Cyclohexen-1-yl)-3-trimethylsilylpropan-1-ol
CID 101386357
[6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclohepta-1,3,5-trien-1-yl]methanol
CID 134853146
(Z)-6-trimethylsilyltetradec-5-en-7-ol
CID 134931656
(Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-iodododec-2-en-1-ol
CID 135015260
3-[(E)-2-trimethylsilylethenyl]cyclohex-2-en-1-ol
CID 162411204
(1S)-3-[(E)-2-trimethylsilylethenyl]cyclohex-2-en-1-ol
CID 162411683
(E)-1-(cyclohepten-1-yl)-3-trimethylsilylprop-2-en-1-ol
CID 12935874
1-Cyclopenta-1,3-dien-1-yltridecan-1-ol
CID 23569005
(1R,4R)-4-[tert-butyl(dimethyl)silyl]-5,6-di(propan-2-ylidene)cyclohex-2-en-1-ol
CID 88429378
(7E,9E,14E)-1-[tert-butyl(dimethyl)silyl]oxyicosa-7,9,14-triene-6,11-diol
CID 88462083

Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-4-hexyl-6-[iodo(trimethylsilyl)methylidene]dodeca-1,4-dien-3-ol?
The IUPAC name of (4Z,6Z)-4-hexyl-6-[iodo(trimethylsilyl)methylidene]dodeca-1,4-dien-3-ol (CID 11167454) is (4Z,6Z)-4-hexyl-6-[iodo(trimethylsilyl)methylidene]dodeca-1,4-dien-3-ol.
What is the SMILES notation for (4Z,6Z)-4-hexyl-6-[iodo(trimethylsilyl)methylidene]dodeca-1,4-dien-3-ol?
The canonical SMILES for (4Z,6Z)-4-hexyl-6-[iodo(trimethylsilyl)methylidene]dodeca-1,4-dien-3-ol is C=CC(O)/C(=C\C(CCCCCC)=C(/I)[Si](C)(C)C)CCCCCC.
What is the InChIKey of (4Z,6Z)-4-hexyl-6-[iodo(trimethylsilyl)methylidene]dodeca-1,4-dien-3-ol?
The InChIKey is NNWNIEFFOJKKFL-PCRAQWQMSA-N. The full InChI is InChI=1S/C22H41IOSi/c1-7-10-12-14-16-19(21(24)9-3)18-20(17-15-13-11-8-2)22(23)25(4,5)6/h9,18,21,24H,3,7-8,10-17H2,1-2,4-6H3/b19-18-,22-20+.
What are the key properties of (4Z,6Z)-4-hexyl-6-[iodo(trimethylsilyl)methylidene]dodeca-1,4-dien-3-ol?
(4Z,6Z)-4-hexyl-6-[iodo(trimethylsilyl)methylidene]dodeca-1,4-dien-3-ol has a molecular weight of 476.56 g/mol, XLogP of 7.97, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-4-hexyl-6-[iodo(trimethylsilyl)methylidene]dodeca-1,4-dien-3-ol is sourced from PubChem (CID 11167454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).