(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hept-1-en-4-ol

C17H38O2Si2 — CID 11174922

IUPAC(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hept-1-en-4-ol
SMILESCCCC(O)C/C(=C/O[Si](C)(C)C(C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C17H38O2Si2/c1-10-11-16(18)12-15(14-20(5,6)7)13-19-21(8,9)17(2,3)4/h13,16,18H,10-12,14H2,1-9H3/b15-13-
InChIKeyQSMWOVDUTJLKLW-SQFISAMPSA-N
MW330.66 g/mol
LogP5.78
Rot. Bonds8

About (Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hept-1-en-4-ol

(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hept-1-en-4-ol (PubChem CID 11174922) has the molecular formula C17H38O2Si2 and a molecular weight of 330.66 g/mol. Its IUPAC name is (Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hept-1-en-4-ol.

Molecular Properties

Compound Name(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hept-1-en-4-ol
PubChem CID11174922
Molecular FormulaC17H38O2Si2
Molecular Weight330.66 g/mol
Exact Mass330.24
IUPAC Name(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hept-1-en-4-ol
SMILESCCCC(O)C/C(=C/O[Si](C)(C)C(C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C17H38O2Si2/c1-10-11-16(18)12-15(14-20(5,6)7)13-19-21(8,9)17(2,3)4/h13,16,18H,10-12,14H2,1-9H3/b15-13-
InChIKeyQSMWOVDUTJLKLW-SQFISAMPSA-N
XLogP5.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.66
LogP ≤ 55.78
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'}

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Related Compounds

2-(Trimethylsilylmethyl)hept-1-en-4-ol
CID 10726730
(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-(trimethylsilylmethyl)but-3-en-1-ol
CID 10946141
(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)non-1-en-8-yn-4-ol
CID 11325698
6-(Trimethylsilylmethyl)octa-6,7-dien-4-ol
CID 11401599
(1Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)trideca-1,7-dien-4-ol
CID 12014235
5-(Trimethylsilylmethyl)hex-5-en-3-ol
CID 12930293
(1Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,9-dien-4-ol
CID 12964922
(Z,4S,5R)-5-bromo-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)oct-1-en-4-ol
CID 101185870
(1Z,6E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,6-dien-4-ol
CID 134879006
(Z)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2-(trimethylsilylmethyl)oct-1-en-7-yn-4-ol
CID 134879007
(E,2R,6S)-2,4-dimethyl-6-tri(propan-2-yl)silyloxynon-3-en-1-ol
CID 135014071
(E,4S,8R)-6,8-dimethyl-9-tri(propan-2-yl)silyloxynon-6-en-4-ol
CID 135014074

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hept-1-en-4-ol?
The IUPAC name of (Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hept-1-en-4-ol (CID 11174922) is (Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hept-1-en-4-ol.
What is the SMILES notation for (Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hept-1-en-4-ol?
The canonical SMILES for (Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hept-1-en-4-ol is CCCC(O)C/C(=C/O[Si](C)(C)C(C)(C)C)C[Si](C)(C)C.
What is the InChIKey of (Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hept-1-en-4-ol?
The InChIKey is QSMWOVDUTJLKLW-SQFISAMPSA-N. The full InChI is InChI=1S/C17H38O2Si2/c1-10-11-16(18)12-15(14-20(5,6)7)13-19-21(8,9)17(2,3)4/h13,16,18H,10-12,14H2,1-9H3/b15-13-.
What are the key properties of (Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hept-1-en-4-ol?
(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hept-1-en-4-ol has a molecular weight of 330.66 g/mol, XLogP of 5.78, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hept-1-en-4-ol is sourced from PubChem (CID 11174922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).