(E,3S,5S)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxynon-7-en-1-ol

C19H40O4Si — CID 163238491

IUPAC(E,3S,5S)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxynon-7-en-1-ol
SMILESC/C=C/C[C@H](OCOC)C(C)(C)[C@H](CCO)O[Si](CC)(CC)CC
InChIInChI=1S/C19H40O4Si/c1-8-12-13-17(22-16-21-7)19(5,6)18(14-15-20)23-24(9-2,10-3)11-4/h8,12,17-18,20H,9-11,13-16H2,1-7H3/b12-8+/t17-,18-/m0/s1
InChIKeyGVVGSDFQVXIBDE-UFBUJHCKSA-N
MW360.61 g/mol
LogP4.74
Rot. Bonds14

About (E,3S,5S)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxynon-7-en-1-ol

(E,3S,5S)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxynon-7-en-1-ol (PubChem CID 163238491) has the molecular formula C19H40O4Si and a molecular weight of 360.61 g/mol. Its IUPAC name is (E,3S,5S)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxynon-7-en-1-ol.

Molecular Properties

Compound Name(E,3S,5S)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxynon-7-en-1-ol
PubChem CID163238491
Molecular FormulaC19H40O4Si
Molecular Weight360.61 g/mol
Exact Mass360.27
IUPAC Name(E,3S,5S)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxynon-7-en-1-ol
SMILESC/C=C/C[C@H](OCOC)C(C)(C)[C@H](CCO)O[Si](CC)(CC)CC
InChIInChI=1S/C19H40O4Si/c1-8-12-13-17(22-16-21-7)19(5,6)18(14-15-20)23-24(9-2,10-3)11-4/h8,12,17-18,20H,9-11,13-16H2,1-7H3/b12-8+/t17-,18-/m0/s1
InChIKeyGVVGSDFQVXIBDE-UFBUJHCKSA-N
XLogP4.74
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.61
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,3S,5S)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxynon-7-en-1-ol?
The IUPAC name of (E,3S,5S)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxynon-7-en-1-ol (CID 163238491) is (E,3S,5S)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxynon-7-en-1-ol.
What is the SMILES notation for (E,3S,5S)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxynon-7-en-1-ol?
The canonical SMILES for (E,3S,5S)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxynon-7-en-1-ol is C/C=C/C[C@H](OCOC)C(C)(C)[C@H](CCO)O[Si](CC)(CC)CC.
What is the InChIKey of (E,3S,5S)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxynon-7-en-1-ol?
The InChIKey is GVVGSDFQVXIBDE-UFBUJHCKSA-N. The full InChI is InChI=1S/C19H40O4Si/c1-8-12-13-17(22-16-21-7)19(5,6)18(14-15-20)23-24(9-2,10-3)11-4/h8,12,17-18,20H,9-11,13-16H2,1-7H3/b12-8+/t17-,18-/m0/s1.
What are the key properties of (E,3S,5S)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxynon-7-en-1-ol?
(E,3S,5S)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxynon-7-en-1-ol has a molecular weight of 360.61 g/mol, XLogP of 4.74, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S,5S)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxynon-7-en-1-ol is sourced from PubChem (CID 163238491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).