(2R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(oxan-2-yloxy)oct-7-en-4-ol

C20H40O4Si — CID 15981858

IUPAC(2R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(oxan-2-yloxy)oct-7-en-4-ol
SMILESC=CC[C@@H](OC1CCCCO1)[C@H](O)C[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O4Si/c1-8-11-18(24-19-12-9-10-13-22-19)17(21)14-16(2)15-23-25(6,7)20(3,4)5/h8,16-19,21H,1,9-15H2,2-7H3/t16-,17-,18-,19?/m1/s1
InChIKeySOUYYQLWPGUOFV-SLZIBOOSSA-N
MW372.62 g/mol
LogP4.88
Rot. Bonds10

About (2R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(oxan-2-yloxy)oct-7-en-4-ol

(2R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(oxan-2-yloxy)oct-7-en-4-ol (PubChem CID 15981858) has the molecular formula C20H40O4Si and a molecular weight of 372.62 g/mol. Its IUPAC name is (2R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(oxan-2-yloxy)oct-7-en-4-ol.

Molecular Properties

Compound Name(2R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(oxan-2-yloxy)oct-7-en-4-ol
PubChem CID15981858
Molecular FormulaC20H40O4Si
Molecular Weight372.62 g/mol
Exact Mass372.27
IUPAC Name(2R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(oxan-2-yloxy)oct-7-en-4-ol
SMILESC=CC[C@@H](OC1CCCCO1)[C@H](O)C[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O4Si/c1-8-11-18(24-19-12-9-10-13-22-19)17(21)14-16(2)15-23-25(6,7)20(3,4)5/h8,16-19,21H,1,9-15H2,2-7H3/t16-,17-,18-,19?/m1/s1
InChIKeySOUYYQLWPGUOFV-SLZIBOOSSA-N
XLogP4.88
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.62
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (2R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(oxan-2-yloxy)oct-7-en-4-ol?
The IUPAC name of (2R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(oxan-2-yloxy)oct-7-en-4-ol (CID 15981858) is (2R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(oxan-2-yloxy)oct-7-en-4-ol.
What is the SMILES notation for (2R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(oxan-2-yloxy)oct-7-en-4-ol?
The canonical SMILES for (2R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(oxan-2-yloxy)oct-7-en-4-ol is C=CC[C@@H](OC1CCCCO1)[C@H](O)C[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(oxan-2-yloxy)oct-7-en-4-ol?
The InChIKey is SOUYYQLWPGUOFV-SLZIBOOSSA-N. The full InChI is InChI=1S/C20H40O4Si/c1-8-11-18(24-19-12-9-10-13-22-19)17(21)14-16(2)15-23-25(6,7)20(3,4)5/h8,16-19,21H,1,9-15H2,2-7H3/t16-,17-,18-,19?/m1/s1.
What are the key properties of (2R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(oxan-2-yloxy)oct-7-en-4-ol?
(2R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(oxan-2-yloxy)oct-7-en-4-ol has a molecular weight of 372.62 g/mol, XLogP of 4.88, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(oxan-2-yloxy)oct-7-en-4-ol is sourced from PubChem (CID 15981858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).