(1Z,4S,6R,7E)-6-[tert-butyl(dimethyl)silyl]oxy-1-iodo-5,5-dimethylnona-1,7-dien-4-ol

C17H33IO2Si — CID 10916864

IUPAC(1Z,4S,6R,7E)-6-[tert-butyl(dimethyl)silyl]oxy-1-iodo-5,5-dimethylnona-1,7-dien-4-ol
SMILESC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H](O)C/C=C\I
InChIInChI=1S/C17H33IO2Si/c1-9-11-15(20-21(7,8)16(2,3)4)17(5,6)14(19)12-10-13-18/h9-11,13-15,19H,12H2,1-8H3/b11-9+,13-10-/t14-,15+/m0/s1
InChIKeyKVNBJNULZGCCHY-FMDAFQSUSA-N
MW424.44 g/mol
LogP5.68
Rot. Bonds7

About (1Z,4S,6R,7E)-6-[tert-butyl(dimethyl)silyl]oxy-1-iodo-5,5-dimethylnona-1,7-dien-4-ol

(1Z,4S,6R,7E)-6-[tert-butyl(dimethyl)silyl]oxy-1-iodo-5,5-dimethylnona-1,7-dien-4-ol (PubChem CID 10916864) has the molecular formula C17H33IO2Si and a molecular weight of 424.44 g/mol. Its IUPAC name is (1Z,4S,6R,7E)-6-[tert-butyl(dimethyl)silyl]oxy-1-iodo-5,5-dimethylnona-1,7-dien-4-ol.

Molecular Properties

Compound Name(1Z,4S,6R,7E)-6-[tert-butyl(dimethyl)silyl]oxy-1-iodo-5,5-dimethylnona-1,7-dien-4-ol
PubChem CID10916864
Molecular FormulaC17H33IO2Si
Molecular Weight424.44 g/mol
Exact Mass424.13
IUPAC Name(1Z,4S,6R,7E)-6-[tert-butyl(dimethyl)silyl]oxy-1-iodo-5,5-dimethylnona-1,7-dien-4-ol
SMILESC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H](O)C/C=C\I
InChIInChI=1S/C17H33IO2Si/c1-9-11-15(20-21(7,8)16(2,3)4)17(5,6)14(19)12-10-13-18/h9-11,13-15,19H,12H2,1-8H3/b11-9+,13-10-/t14-,15+/m0/s1
InChIKeyKVNBJNULZGCCHY-FMDAFQSUSA-N
XLogP5.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.44
LogP ≤ 55.68
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'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,4S,6R,7E)-6-[tert-butyl(dimethyl)silyl]oxy-1-iodo-5,5-dimethylnona-1,7-dien-4-ol?
The IUPAC name of (1Z,4S,6R,7E)-6-[tert-butyl(dimethyl)silyl]oxy-1-iodo-5,5-dimethylnona-1,7-dien-4-ol (CID 10916864) is (1Z,4S,6R,7E)-6-[tert-butyl(dimethyl)silyl]oxy-1-iodo-5,5-dimethylnona-1,7-dien-4-ol.
What is the SMILES notation for (1Z,4S,6R,7E)-6-[tert-butyl(dimethyl)silyl]oxy-1-iodo-5,5-dimethylnona-1,7-dien-4-ol?
The canonical SMILES for (1Z,4S,6R,7E)-6-[tert-butyl(dimethyl)silyl]oxy-1-iodo-5,5-dimethylnona-1,7-dien-4-ol is C/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H](O)C/C=C\I.
What is the InChIKey of (1Z,4S,6R,7E)-6-[tert-butyl(dimethyl)silyl]oxy-1-iodo-5,5-dimethylnona-1,7-dien-4-ol?
The InChIKey is KVNBJNULZGCCHY-FMDAFQSUSA-N. The full InChI is InChI=1S/C17H33IO2Si/c1-9-11-15(20-21(7,8)16(2,3)4)17(5,6)14(19)12-10-13-18/h9-11,13-15,19H,12H2,1-8H3/b11-9+,13-10-/t14-,15+/m0/s1.
What are the key properties of (1Z,4S,6R,7E)-6-[tert-butyl(dimethyl)silyl]oxy-1-iodo-5,5-dimethylnona-1,7-dien-4-ol?
(1Z,4S,6R,7E)-6-[tert-butyl(dimethyl)silyl]oxy-1-iodo-5,5-dimethylnona-1,7-dien-4-ol has a molecular weight of 424.44 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4S,6R,7E)-6-[tert-butyl(dimethyl)silyl]oxy-1-iodo-5,5-dimethylnona-1,7-dien-4-ol is sourced from PubChem (CID 10916864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).