(4Z,7E)-8-iodo-5,8-bis(trimethylsilyl)octa-4,7-dien-1-ol

C14H29IOSi2 — CID 135057522

IUPAC(4Z,7E)-8-iodo-5,8-bis(trimethylsilyl)octa-4,7-dien-1-ol
SMILESC[Si](C)(C)/C(=C\CCCO)C/C=C(/I)[Si](C)(C)C
InChIInChI=1S/C14H29IOSi2/c1-17(2,3)13(9-7-8-12-16)10-11-14(15)18(4,5)6/h9,11,16H,7-8,10,12H2,1-6H3/b13-9-,14-11-
InChIKeyBCSGZVLHUBBMGT-GUMNZBQSSA-N
MW396.46 g/mol
LogP5.15
Rot. Bonds7

About (4Z,7E)-8-iodo-5,8-bis(trimethylsilyl)octa-4,7-dien-1-ol

(4Z,7E)-8-iodo-5,8-bis(trimethylsilyl)octa-4,7-dien-1-ol (PubChem CID 135057522) has the molecular formula C14H29IOSi2 and a molecular weight of 396.46 g/mol. Its IUPAC name is (4Z,7E)-8-iodo-5,8-bis(trimethylsilyl)octa-4,7-dien-1-ol.

Molecular Properties

Compound Name(4Z,7E)-8-iodo-5,8-bis(trimethylsilyl)octa-4,7-dien-1-ol
PubChem CID135057522
Molecular FormulaC14H29IOSi2
Molecular Weight396.46 g/mol
Exact Mass396.08
IUPAC Name(4Z,7E)-8-iodo-5,8-bis(trimethylsilyl)octa-4,7-dien-1-ol
SMILESC[Si](C)(C)/C(=C\CCCO)C/C=C(/I)[Si](C)(C)C
InChIInChI=1S/C14H29IOSi2/c1-17(2,3)13(9-7-8-12-16)10-11-14(15)18(4,5)6/h9,11,16H,7-8,10,12H2,1-6H3/b13-9-,14-11-
InChIKeyBCSGZVLHUBBMGT-GUMNZBQSSA-N
XLogP5.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.46
LogP ≤ 55.15
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'}

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Frequently Asked Questions

What is the IUPAC name of (4Z,7E)-8-iodo-5,8-bis(trimethylsilyl)octa-4,7-dien-1-ol?
The IUPAC name of (4Z,7E)-8-iodo-5,8-bis(trimethylsilyl)octa-4,7-dien-1-ol (CID 135057522) is (4Z,7E)-8-iodo-5,8-bis(trimethylsilyl)octa-4,7-dien-1-ol.
What is the SMILES notation for (4Z,7E)-8-iodo-5,8-bis(trimethylsilyl)octa-4,7-dien-1-ol?
The canonical SMILES for (4Z,7E)-8-iodo-5,8-bis(trimethylsilyl)octa-4,7-dien-1-ol is C[Si](C)(C)/C(=C\CCCO)C/C=C(/I)[Si](C)(C)C.
What is the InChIKey of (4Z,7E)-8-iodo-5,8-bis(trimethylsilyl)octa-4,7-dien-1-ol?
The InChIKey is BCSGZVLHUBBMGT-GUMNZBQSSA-N. The full InChI is InChI=1S/C14H29IOSi2/c1-17(2,3)13(9-7-8-12-16)10-11-14(15)18(4,5)6/h9,11,16H,7-8,10,12H2,1-6H3/b13-9-,14-11-.
What are the key properties of (4Z,7E)-8-iodo-5,8-bis(trimethylsilyl)octa-4,7-dien-1-ol?
(4Z,7E)-8-iodo-5,8-bis(trimethylsilyl)octa-4,7-dien-1-ol has a molecular weight of 396.46 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7E)-8-iodo-5,8-bis(trimethylsilyl)octa-4,7-dien-1-ol is sourced from PubChem (CID 135057522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).