[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-4-yl] acetate

C18H36O3Si — CID 24862361

IUPAC[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-4-yl] acetate
SMILESCC(=O)OC(CC=C(C)C)[C@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O3Si/c1-14(2)10-11-17(21-16(4)19)15(3)12-13-20-22(8,9)18(5,6)7/h10,15,17H,11-13H2,1-9H3/t15-,17?/m1/s1
InChIKeyPIYRZXQRZMRQAM-LDCVWXEPSA-N
MW328.57 g/mol
LogP5.32
Rot. Bonds8

About [(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-4-yl] acetate

[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-4-yl] acetate (PubChem CID 24862361) has the molecular formula C18H36O3Si and a molecular weight of 328.57 g/mol. Its IUPAC name is [(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-4-yl] acetate.

Molecular Properties

Compound Name[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-4-yl] acetate
PubChem CID24862361
Molecular FormulaC18H36O3Si
Molecular Weight328.57 g/mol
Exact Mass328.24
IUPAC Name[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-4-yl] acetate
SMILESCC(=O)OC(CC=C(C)C)[C@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O3Si/c1-14(2)10-11-17(21-16(4)19)15(3)12-13-20-22(8,9)18(5,6)7/h10,15,17H,11-13H2,1-9H3/t15-,17?/m1/s1
InChIKeyPIYRZXQRZMRQAM-LDCVWXEPSA-N
XLogP5.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.57
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-4-yl] acetate?
The IUPAC name of [(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-4-yl] acetate (CID 24862361) is [(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-4-yl] acetate.
What is the SMILES notation for [(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-4-yl] acetate?
The canonical SMILES for [(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-4-yl] acetate is CC(=O)OC(CC=C(C)C)[C@H](C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-4-yl] acetate?
The InChIKey is PIYRZXQRZMRQAM-LDCVWXEPSA-N. The full InChI is InChI=1S/C18H36O3Si/c1-14(2)10-11-17(21-16(4)19)15(3)12-13-20-22(8,9)18(5,6)7/h10,15,17H,11-13H2,1-9H3/t15-,17?/m1/s1.
What are the key properties of [(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-4-yl] acetate?
[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-4-yl] acetate has a molecular weight of 328.57 g/mol, XLogP of 5.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-4-yl] acetate is sourced from PubChem (CID 24862361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).