(E,5R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)oct-2-en-1-ol

C16H34O4Si — CID 53236755

IUPAC(E,5R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)oct-2-en-1-ol
SMILESCOCO[C@H](C)C[C@@H](C/C=C/CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O4Si/c1-14(19-13-18-5)12-15(10-8-9-11-17)20-21(6,7)16(2,3)4/h8-9,14-15,17H,10-13H2,1-7H3/b9-8+/t14-,15-/m1/s1
InChIKeySBXRGAFVSPZECH-VMFRVMOISA-N
MW318.53 g/mol
LogP3.71
Rot. Bonds10

About (E,5R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)oct-2-en-1-ol

(E,5R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)oct-2-en-1-ol (PubChem CID 53236755) has the molecular formula C16H34O4Si and a molecular weight of 318.53 g/mol. Its IUPAC name is (E,5R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)oct-2-en-1-ol.

Molecular Properties

Compound Name(E,5R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)oct-2-en-1-ol
PubChem CID53236755
Molecular FormulaC16H34O4Si
Molecular Weight318.53 g/mol
Exact Mass318.22
IUPAC Name(E,5R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)oct-2-en-1-ol
SMILESCOCO[C@H](C)C[C@@H](C/C=C/CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O4Si/c1-14(19-13-18-5)12-15(10-8-9-11-17)20-21(6,7)16(2,3)4/h8-9,14-15,17H,10-13H2,1-7H3/b9-8+/t14-,15-/m1/s1
InChIKeySBXRGAFVSPZECH-VMFRVMOISA-N
XLogP3.71
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 53.71
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,5R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)oct-2-en-1-ol?
The IUPAC name of (E,5R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)oct-2-en-1-ol (CID 53236755) is (E,5R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)oct-2-en-1-ol.
What is the SMILES notation for (E,5R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)oct-2-en-1-ol?
The canonical SMILES for (E,5R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)oct-2-en-1-ol is COCO[C@H](C)C[C@@H](C/C=C/CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,5R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)oct-2-en-1-ol?
The InChIKey is SBXRGAFVSPZECH-VMFRVMOISA-N. The full InChI is InChI=1S/C16H34O4Si/c1-14(19-13-18-5)12-15(10-8-9-11-17)20-21(6,7)16(2,3)4/h8-9,14-15,17H,10-13H2,1-7H3/b9-8+/t14-,15-/m1/s1.
What are the key properties of (E,5R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)oct-2-en-1-ol?
(E,5R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)oct-2-en-1-ol has a molecular weight of 318.53 g/mol, XLogP of 3.71, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)oct-2-en-1-ol is sourced from PubChem (CID 53236755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).