(2E,5S,6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-5-methylocta-2,7-dien-1-ol

C15H29IO2Si — CID 159080452

IUPAC(2E,5S,6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-5-methylocta-2,7-dien-1-ol
SMILESC[C@@H](C/C=C/CO)[C@@H](/C=C\I)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29IO2Si/c1-13(9-7-8-12-17)14(10-11-16)18-19(5,6)15(2,3)4/h7-8,10-11,13-14,17H,9,12H2,1-6H3/b8-7+,11-10-/t13-,14+/m0/s1
InChIKeyHSQGWCMBAILYAY-COTSRKQWSA-N
MW396.39 g/mol
LogP4.90
Rot. Bonds7

About (2E,5S,6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-5-methylocta-2,7-dien-1-ol

(2E,5S,6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-5-methylocta-2,7-dien-1-ol (PubChem CID 159080452) has the molecular formula C15H29IO2Si and a molecular weight of 396.39 g/mol. Its IUPAC name is (2E,5S,6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-5-methylocta-2,7-dien-1-ol.

Molecular Properties

Compound Name(2E,5S,6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-5-methylocta-2,7-dien-1-ol
PubChem CID159080452
Molecular FormulaC15H29IO2Si
Molecular Weight396.39 g/mol
Exact Mass396.10
IUPAC Name(2E,5S,6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-5-methylocta-2,7-dien-1-ol
SMILESC[C@@H](C/C=C/CO)[C@@H](/C=C\I)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29IO2Si/c1-13(9-7-8-12-17)14(10-11-16)18-19(5,6)15(2,3)4/h7-8,10-11,13-14,17H,9,12H2,1-6H3/b8-7+,11-10-/t13-,14+/m0/s1
InChIKeyHSQGWCMBAILYAY-COTSRKQWSA-N
XLogP4.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2E,5S,6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-5-methylocta-2,7-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S,6R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dien-1-ol
CID 90951994
(E,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-5-enal
CID 101391066
(E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol
CID 19737479
methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate
CID 10424227
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 53381041
tert-butyl-(6-iodohex-4-en-2-yloxy)-dimethylsilane
CID 54066938
(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhex-5-enoic acid
CID 11188272
(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-trityloxyhex-2-en-1-ol
CID 135015770
(E)-5-[tert-butyl(dimethyl)silyl]oxy-5-(1-propylcyclobutyl)pent-2-en-1-ol
CID 67102119
(Z,5R)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-ene-1,5-diol
CID 53255144
tert-butyl-[(E)-1-iodo-7,7-dimethyloct-1-en-3-yl]oxy-dimethylsilane
CID 22768571
tert-butyl-(1-iodooct-1-en-3-yloxy)-dimethylsilane
CID 53400857

Frequently Asked Questions

What is the IUPAC name of (2E,5S,6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-5-methylocta-2,7-dien-1-ol?
The IUPAC name of (2E,5S,6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-5-methylocta-2,7-dien-1-ol (CID 159080452) is (2E,5S,6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-5-methylocta-2,7-dien-1-ol.
What is the SMILES notation for (2E,5S,6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-5-methylocta-2,7-dien-1-ol?
The canonical SMILES for (2E,5S,6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-5-methylocta-2,7-dien-1-ol is C[C@@H](C/C=C/CO)[C@@H](/C=C\I)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2E,5S,6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-5-methylocta-2,7-dien-1-ol?
The InChIKey is HSQGWCMBAILYAY-COTSRKQWSA-N. The full InChI is InChI=1S/C15H29IO2Si/c1-13(9-7-8-12-17)14(10-11-16)18-19(5,6)15(2,3)4/h7-8,10-11,13-14,17H,9,12H2,1-6H3/b8-7+,11-10-/t13-,14+/m0/s1.
What are the key properties of (2E,5S,6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-5-methylocta-2,7-dien-1-ol?
(2E,5S,6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-5-methylocta-2,7-dien-1-ol has a molecular weight of 396.39 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5S,6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-5-methylocta-2,7-dien-1-ol is sourced from PubChem (CID 159080452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).