(E)-7-ethenyl-5-[2-[7-methoxyheptyl(dimethyl)silyl]ethyl]oct-2-ene-1,8-diol

C22H44O3Si — CID 18683182

IUPAC(E)-7-ethenyl-5-[2-[7-methoxyheptyl(dimethyl)silyl]ethyl]oct-2-ene-1,8-diol
SMILESC=CC(CO)CC(C/C=C/CO)CC[Si](C)(C)CCCCCCCOC
InChIInChI=1S/C22H44O3Si/c1-5-21(20-24)19-22(13-9-10-15-23)14-18-26(3,4)17-12-8-6-7-11-16-25-2/h5,9-10,21-24H,1,6-8,11-20H2,2-4H3/b10-9+
InChIKeyXHUIUIHXKMEKTA-MDZDMXLPSA-N
MW384.68 g/mol
LogP5.42
Rot. Bonds18

About (E)-7-ethenyl-5-[2-[7-methoxyheptyl(dimethyl)silyl]ethyl]oct-2-ene-1,8-diol

(E)-7-ethenyl-5-[2-[7-methoxyheptyl(dimethyl)silyl]ethyl]oct-2-ene-1,8-diol (PubChem CID 18683182) has the molecular formula C22H44O3Si and a molecular weight of 384.68 g/mol. Its IUPAC name is (E)-7-ethenyl-5-[2-[7-methoxyheptyl(dimethyl)silyl]ethyl]oct-2-ene-1,8-diol.

Molecular Properties

Compound Name(E)-7-ethenyl-5-[2-[7-methoxyheptyl(dimethyl)silyl]ethyl]oct-2-ene-1,8-diol
PubChem CID18683182
Molecular FormulaC22H44O3Si
Molecular Weight384.68 g/mol
Exact Mass384.31
IUPAC Name(E)-7-ethenyl-5-[2-[7-methoxyheptyl(dimethyl)silyl]ethyl]oct-2-ene-1,8-diol
SMILESC=CC(CO)CC(C/C=C/CO)CC[Si](C)(C)CCCCCCCOC
InChIInChI=1S/C22H44O3Si/c1-5-21(20-24)19-22(13-9-10-15-23)14-18-26(3,4)17-12-8-6-7-11-16-25-2/h5,9-10,21-24H,1,6-8,11-20H2,2-4H3/b10-9+
InChIKeyXHUIUIHXKMEKTA-MDZDMXLPSA-N
XLogP5.42
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.68
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,4R)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11255806
(1S,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11782315
(1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol
CID 14447627
(E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol
CID 44604556
(E)-3-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]prop-2-en-1-ol
CID 134973101
(Z,1S)-1-[(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]but-2-en-1-ol
CID 164671236
(E,1R)-1-[(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]but-2-en-1-ol
CID 164671237
(Z)-9-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-7-en-6-ol
CID 10251138
[(3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-prop-1-en-2-ylcyclopenten-1-yl]methanol
CID 10858983
(2E,5S,6S,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-diene-1,5-diol
CID 11371296
(3S,4S,6E,9R,10E)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyldodeca-6,10-dien-1-ol
CID 50915854
(4S)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol
CID 11111018

Frequently Asked Questions

What is the IUPAC name of (E)-7-ethenyl-5-[2-[7-methoxyheptyl(dimethyl)silyl]ethyl]oct-2-ene-1,8-diol?
The IUPAC name of (E)-7-ethenyl-5-[2-[7-methoxyheptyl(dimethyl)silyl]ethyl]oct-2-ene-1,8-diol (CID 18683182) is (E)-7-ethenyl-5-[2-[7-methoxyheptyl(dimethyl)silyl]ethyl]oct-2-ene-1,8-diol.
What is the SMILES notation for (E)-7-ethenyl-5-[2-[7-methoxyheptyl(dimethyl)silyl]ethyl]oct-2-ene-1,8-diol?
The canonical SMILES for (E)-7-ethenyl-5-[2-[7-methoxyheptyl(dimethyl)silyl]ethyl]oct-2-ene-1,8-diol is C=CC(CO)CC(C/C=C/CO)CC[Si](C)(C)CCCCCCCOC.
What is the InChIKey of (E)-7-ethenyl-5-[2-[7-methoxyheptyl(dimethyl)silyl]ethyl]oct-2-ene-1,8-diol?
The InChIKey is XHUIUIHXKMEKTA-MDZDMXLPSA-N. The full InChI is InChI=1S/C22H44O3Si/c1-5-21(20-24)19-22(13-9-10-15-23)14-18-26(3,4)17-12-8-6-7-11-16-25-2/h5,9-10,21-24H,1,6-8,11-20H2,2-4H3/b10-9+.
What are the key properties of (E)-7-ethenyl-5-[2-[7-methoxyheptyl(dimethyl)silyl]ethyl]oct-2-ene-1,8-diol?
(E)-7-ethenyl-5-[2-[7-methoxyheptyl(dimethyl)silyl]ethyl]oct-2-ene-1,8-diol has a molecular weight of 384.68 g/mol, XLogP of 5.42, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-ethenyl-5-[2-[7-methoxyheptyl(dimethyl)silyl]ethyl]oct-2-ene-1,8-diol is sourced from PubChem (CID 18683182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).