(Z)-8-(2-methoxyoxan-2-yl)-2-methyl-1-triethylsilyloxyoct-7-ene-2,5-diol

C21H42O5Si — CID 10739893

IUPAC(Z)-8-(2-methoxyoxan-2-yl)-2-methyl-1-triethylsilyloxyoct-7-ene-2,5-diol
SMILESCC[Si](CC)(CC)OCC(C)(O)CCC(O)C/C=C\C1(OC)CCCCO1
InChIInChI=1S/C21H42O5Si/c1-6-27(7-2,8-3)26-18-20(4,23)16-13-19(22)12-11-15-21(24-5)14-9-10-17-25-21/h11,15,19,22-23H,6-10,12-14,16-18H2,1-5H3/b15-11-
InChIKeyYWIDYCCUDQRGRD-PTNGSMBKSA-N
MW402.65 g/mol
LogP4.39
Rot. Bonds13

About (Z)-8-(2-methoxyoxan-2-yl)-2-methyl-1-triethylsilyloxyoct-7-ene-2,5-diol

(Z)-8-(2-methoxyoxan-2-yl)-2-methyl-1-triethylsilyloxyoct-7-ene-2,5-diol (PubChem CID 10739893) has the molecular formula C21H42O5Si and a molecular weight of 402.65 g/mol. Its IUPAC name is (Z)-8-(2-methoxyoxan-2-yl)-2-methyl-1-triethylsilyloxyoct-7-ene-2,5-diol.

Molecular Properties

Compound Name(Z)-8-(2-methoxyoxan-2-yl)-2-methyl-1-triethylsilyloxyoct-7-ene-2,5-diol
PubChem CID10739893
Molecular FormulaC21H42O5Si
Molecular Weight402.65 g/mol
Exact Mass402.28
IUPAC Name(Z)-8-(2-methoxyoxan-2-yl)-2-methyl-1-triethylsilyloxyoct-7-ene-2,5-diol
SMILESCC[Si](CC)(CC)OCC(C)(O)CCC(O)C/C=C\C1(OC)CCCCO1
InChIInChI=1S/C21H42O5Si/c1-6-27(7-2,8-3)26-18-20(4,23)16-13-19(22)12-11-15-21(24-5)14-9-10-17-25-21/h11,15,19,22-23H,6-10,12-14,16-18H2,1-5H3/b15-11-
InChIKeyYWIDYCCUDQRGRD-PTNGSMBKSA-N
XLogP4.39
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.65
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-8-(2-methoxyoxan-2-yl)-2-methyl-1-triethylsilyloxyoct-7-ene-2,5-diol?
The IUPAC name of (Z)-8-(2-methoxyoxan-2-yl)-2-methyl-1-triethylsilyloxyoct-7-ene-2,5-diol (CID 10739893) is (Z)-8-(2-methoxyoxan-2-yl)-2-methyl-1-triethylsilyloxyoct-7-ene-2,5-diol.
What is the SMILES notation for (Z)-8-(2-methoxyoxan-2-yl)-2-methyl-1-triethylsilyloxyoct-7-ene-2,5-diol?
The canonical SMILES for (Z)-8-(2-methoxyoxan-2-yl)-2-methyl-1-triethylsilyloxyoct-7-ene-2,5-diol is CC[Si](CC)(CC)OCC(C)(O)CCC(O)C/C=C\C1(OC)CCCCO1.
What is the InChIKey of (Z)-8-(2-methoxyoxan-2-yl)-2-methyl-1-triethylsilyloxyoct-7-ene-2,5-diol?
The InChIKey is YWIDYCCUDQRGRD-PTNGSMBKSA-N. The full InChI is InChI=1S/C21H42O5Si/c1-6-27(7-2,8-3)26-18-20(4,23)16-13-19(22)12-11-15-21(24-5)14-9-10-17-25-21/h11,15,19,22-23H,6-10,12-14,16-18H2,1-5H3/b15-11-.
What are the key properties of (Z)-8-(2-methoxyoxan-2-yl)-2-methyl-1-triethylsilyloxyoct-7-ene-2,5-diol?
(Z)-8-(2-methoxyoxan-2-yl)-2-methyl-1-triethylsilyloxyoct-7-ene-2,5-diol has a molecular weight of 402.65 g/mol, XLogP of 4.39, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-8-(2-methoxyoxan-2-yl)-2-methyl-1-triethylsilyloxyoct-7-ene-2,5-diol is sourced from PubChem (CID 10739893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).