(Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodooct-6-en-3-yn-1-ol

C14H25IO2Si — CID 134898090

IUPAC(Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodooct-6-en-3-yn-1-ol
SMILESC/C(I)=C/C(C#CCCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H25IO2Si/c1-12(15)11-13(9-7-8-10-16)17-18(5,6)14(2,3)4/h11,13,16H,8,10H2,1-6H3/b12-11-
InChIKeyJFTGALCZCPULRD-QXMHVHEDSA-N
MW380.34 g/mol
LogP4.10
Rot. Bonds4

About (Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodooct-6-en-3-yn-1-ol

(Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodooct-6-en-3-yn-1-ol (PubChem CID 134898090) has the molecular formula C14H25IO2Si and a molecular weight of 380.34 g/mol. Its IUPAC name is (Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodooct-6-en-3-yn-1-ol.

Molecular Properties

Compound Name(Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodooct-6-en-3-yn-1-ol
PubChem CID134898090
Molecular FormulaC14H25IO2Si
Molecular Weight380.34 g/mol
Exact Mass380.07
IUPAC Name(Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodooct-6-en-3-yn-1-ol
SMILESC/C(I)=C/C(C#CCCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H25IO2Si/c1-12(15)11-13(9-7-8-10-16)17-18(5,6)14(2,3)4/h11,13,16H,8,10H2,1-6H3/b12-11-
InChIKeyJFTGALCZCPULRD-QXMHVHEDSA-N
XLogP4.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.34
LogP ≤ 54.10
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodopentadec-6-en-2,10-diyn-1-ol
CID 134887156
(E,9R)-9-[tert-butyl(dimethyl)silyl]oxyundec-7-en-2,5-diyn-1-ol
CID 146162787
(Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-5-en-2-yn-4-ol
CID 10244062
(1Z,4E,6R)-6-[diethyl(propan-2-yl)silyl]oxy-1-iodo-2-methylhepta-1,4-dien-3-ol
CID 11269472
(7Z)-9-[tert-butyl(dimethyl)silyl]oxy-2,7-dimethylnona-2,7-dien-5-yn-4-ol
CID 46854919
(Z)-9-[tert-butyl(dimethyl)silyl]oxy-6-iodo-1-trimethylsilylnon-6-en-1,3-diyn-5-ol
CID 49793293
(Z,5S)-9-[tert-butyl(dimethyl)silyl]oxy-6-iodo-1-trimethylsilylnon-6-en-1,3-diyn-5-ol
CID 49793295
(Z,5S)-4-iodo-9-trimethylsilylnon-3-en-6,8-diyne-1,5-diol
CID 49794338
(E,3R)-4-methyl-1-trimethylsilylhept-4-en-1-yn-3-ol
CID 101388632
(E,3S)-4-methyl-1-trimethylsilylhept-4-en-1-yn-3-ol
CID 101388633
tert-butyl-[(E,3S)-8-iodooct-4-en-7-yn-3-yl]oxy-dimethylsilane
CID 101499760
(E)-4-methyl-1-trimethylsilylhept-4-en-1-yn-3-ol
CID 121221291

Frequently Asked Questions

What is the IUPAC name of (Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodooct-6-en-3-yn-1-ol?
The IUPAC name of (Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodooct-6-en-3-yn-1-ol (CID 134898090) is (Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodooct-6-en-3-yn-1-ol.
What is the SMILES notation for (Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodooct-6-en-3-yn-1-ol?
The canonical SMILES for (Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodooct-6-en-3-yn-1-ol is C/C(I)=C/C(C#CCCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodooct-6-en-3-yn-1-ol?
The InChIKey is JFTGALCZCPULRD-QXMHVHEDSA-N. The full InChI is InChI=1S/C14H25IO2Si/c1-12(15)11-13(9-7-8-10-16)17-18(5,6)14(2,3)4/h11,13,16H,8,10H2,1-6H3/b12-11-.
What are the key properties of (Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodooct-6-en-3-yn-1-ol?
(Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodooct-6-en-3-yn-1-ol has a molecular weight of 380.34 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodooct-6-en-3-yn-1-ol is sourced from PubChem (CID 134898090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).