(1Z,5E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hepta-1,5-dien-4-ol

C17H36O2Si2 — CID 154709743

IUPAC(1Z,5E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hepta-1,5-dien-4-ol
SMILESC/C=C/C(O)C/C(=C/O[Si](C)(C)C(C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C17H36O2Si2/c1-10-11-16(18)12-15(14-20(5,6)7)13-19-21(8,9)17(2,3)4/h10-11,13,16,18H,12,14H2,1-9H3/b11-10+,15-13-
InChIKeyZPJKEIWSZCJNRW-JXIMYUQQSA-N
MW328.65 g/mol
LogP5.56
Rot. Bonds7

About (1Z,5E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hepta-1,5-dien-4-ol

(1Z,5E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hepta-1,5-dien-4-ol (PubChem CID 154709743) has the molecular formula C17H36O2Si2 and a molecular weight of 328.65 g/mol. Its IUPAC name is (1Z,5E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hepta-1,5-dien-4-ol.

Molecular Properties

Compound Name(1Z,5E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hepta-1,5-dien-4-ol
PubChem CID154709743
Molecular FormulaC17H36O2Si2
Molecular Weight328.65 g/mol
Exact Mass328.23
IUPAC Name(1Z,5E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hepta-1,5-dien-4-ol
SMILESC/C=C/C(O)C/C(=C/O[Si](C)(C)C(C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C17H36O2Si2/c1-10-11-16(18)12-15(14-20(5,6)7)13-19-21(8,9)17(2,3)4/h10-11,13,16,18H,12,14H2,1-9H3/b11-10+,15-13-
InChIKeyZPJKEIWSZCJNRW-JXIMYUQQSA-N
XLogP5.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.65
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1Z,5E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hepta-1,5-dien-4-ol with MolForge

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Related Compounds

2-Cyclopenten-1-ol, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, cis-
CID 10176747
(1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 11696163
(9s,5z,7e)-9-t-Butyldimethylsilyloxy-5,7-decadienol
CID 129706267
(9s,5e,7e)-9-t-Butyldimethylsilyloxy-5,7-decadienol
CID 129706328
(4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol
CID 134832873
Rel-(1R,4S)-4-((tert-butyldimethylsilyl)oxy)cyclopent-2-en-1-ol
CID 10910904
(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 11020261
(2Z,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-2,6-dien-1-ol
CID 134950412
(1r, 3r)-1-(Tert-butyl-dimethylsiloxy)-3-hydroxy-4-cyclopentene
CID 10878531
(Z,4S,5R,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylhept-2-en-1-ol
CID 10693252
(2E,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol
CID 11098093
(3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methylundeca-1,5-diene-4,8-diol
CID 11209176

Frequently Asked Questions

What is the IUPAC name of (1Z,5E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hepta-1,5-dien-4-ol?
The IUPAC name of (1Z,5E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hepta-1,5-dien-4-ol (CID 154709743) is (1Z,5E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hepta-1,5-dien-4-ol.
What is the SMILES notation for (1Z,5E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hepta-1,5-dien-4-ol?
The canonical SMILES for (1Z,5E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hepta-1,5-dien-4-ol is C/C=C/C(O)C/C(=C/O[Si](C)(C)C(C)(C)C)C[Si](C)(C)C.
What is the InChIKey of (1Z,5E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hepta-1,5-dien-4-ol?
The InChIKey is ZPJKEIWSZCJNRW-JXIMYUQQSA-N. The full InChI is InChI=1S/C17H36O2Si2/c1-10-11-16(18)12-15(14-20(5,6)7)13-19-21(8,9)17(2,3)4/h10-11,13,16,18H,12,14H2,1-9H3/b11-10+,15-13-.
What are the key properties of (1Z,5E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hepta-1,5-dien-4-ol?
(1Z,5E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hepta-1,5-dien-4-ol has a molecular weight of 328.65 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,5E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hepta-1,5-dien-4-ol is sourced from PubChem (CID 154709743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).