[(Z)-1-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]oct-1-en-2-yl] acetate

C21H40O4Si — CID 24938415

IUPAC[(Z)-1-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]oct-1-en-2-yl] acetate
SMILESCCCCCC/C(=C/[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)CCO1)OC(C)=O
InChIInChI=1S/C21H40O4Si/c1-8-9-10-11-12-18(24-17(2)22)15-20-16-19(13-14-23-20)25-26(6,7)21(3,4)5/h15,19-20H,8-14,16H2,1-7H3/b18-15-/t19-,20+/m1/s1
InChIKeyLVSWRRWXNXOSEJ-NGOBHPGJSA-N
MW384.63 g/mol
LogP5.97
Rot. Bonds9

About [(Z)-1-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]oct-1-en-2-yl] acetate

[(Z)-1-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]oct-1-en-2-yl] acetate (PubChem CID 24938415) has the molecular formula C21H40O4Si and a molecular weight of 384.63 g/mol. Its IUPAC name is [(Z)-1-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]oct-1-en-2-yl] acetate.

Molecular Properties

Compound Name[(Z)-1-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]oct-1-en-2-yl] acetate
PubChem CID24938415
Molecular FormulaC21H40O4Si
Molecular Weight384.63 g/mol
Exact Mass384.27
IUPAC Name[(Z)-1-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]oct-1-en-2-yl] acetate
SMILESCCCCCC/C(=C/[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)CCO1)OC(C)=O
InChIInChI=1S/C21H40O4Si/c1-8-9-10-11-12-18(24-17(2)22)15-20-16-19(13-14-23-20)25-26(6,7)21(3,4)5/h15,19-20H,8-14,16H2,1-7H3/b18-15-/t19-,20+/m1/s1
InChIKeyLVSWRRWXNXOSEJ-NGOBHPGJSA-N
XLogP5.97
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.63
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [(Z)-1-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]oct-1-en-2-yl] acetate with MolForge

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Related Compounds

1-iodotridec-1-en-2-yl acetate
CID 173001585
[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl] acetate
CID 54211622
ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
CID 141450623
ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enoate
CID 54522680
3-(oxan-2-yloxy)tetradec-2-enal
CID 173358094
[tert-butyl(dimethyl)silyl] tetradecanoate
CID 528599
[tert-butyl(dimethyl)silyl] heptacosanoate
CID 91752633
[(E,3S)-3-methylundec-4-en-5-yl] acetate
CID 101430197
(2S)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2-carbaldehyde
CID 168819907
[tert-butyl(dimethyl)silyl] 2-oxooctanoate
CID 91696537
tert-butyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate
CID 174257287
[tert-butyl(dimethyl)silyl] (E)-octadec-11-enoate
CID 91743170

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]oct-1-en-2-yl] acetate?
The IUPAC name of [(Z)-1-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]oct-1-en-2-yl] acetate (CID 24938415) is [(Z)-1-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]oct-1-en-2-yl] acetate.
What is the SMILES notation for [(Z)-1-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]oct-1-en-2-yl] acetate?
The canonical SMILES for [(Z)-1-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]oct-1-en-2-yl] acetate is CCCCCC/C(=C/[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)CCO1)OC(C)=O.
What is the InChIKey of [(Z)-1-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]oct-1-en-2-yl] acetate?
The InChIKey is LVSWRRWXNXOSEJ-NGOBHPGJSA-N. The full InChI is InChI=1S/C21H40O4Si/c1-8-9-10-11-12-18(24-17(2)22)15-20-16-19(13-14-23-20)25-26(6,7)21(3,4)5/h15,19-20H,8-14,16H2,1-7H3/b18-15-/t19-,20+/m1/s1.
What are the key properties of [(Z)-1-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]oct-1-en-2-yl] acetate?
[(Z)-1-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]oct-1-en-2-yl] acetate has a molecular weight of 384.63 g/mol, XLogP of 5.97, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]oct-1-en-2-yl] acetate is sourced from PubChem (CID 24938415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).