[1-[tert-butyl(dimethyl)silyl]oxy-3-hex-1-en-2-yloxypropan-2-yl] pentanoate

C20H40O4Si — CID 59083653

IUPAC[1-[tert-butyl(dimethyl)silyl]oxy-3-hex-1-en-2-yloxypropan-2-yl] pentanoate
SMILESC=C(CCCC)OCC(CO[Si](C)(C)C(C)(C)C)OC(=O)CCCC
InChIInChI=1S/C20H40O4Si/c1-9-11-13-17(3)22-15-18(24-19(21)14-12-10-2)16-23-25(7,8)20(4,5)6/h18H,3,9-16H2,1-2,4-8H3
InChIKeyVOAKBGPQXQYAMY-UHFFFAOYSA-N
MW372.62 g/mol
LogP5.83
Rot. Bonds13

About [1-[tert-butyl(dimethyl)silyl]oxy-3-hex-1-en-2-yloxypropan-2-yl] pentanoate

[1-[tert-butyl(dimethyl)silyl]oxy-3-hex-1-en-2-yloxypropan-2-yl] pentanoate (PubChem CID 59083653) has the molecular formula C20H40O4Si and a molecular weight of 372.62 g/mol. Its IUPAC name is [1-[tert-butyl(dimethyl)silyl]oxy-3-hex-1-en-2-yloxypropan-2-yl] pentanoate.

Molecular Properties

Compound Name[1-[tert-butyl(dimethyl)silyl]oxy-3-hex-1-en-2-yloxypropan-2-yl] pentanoate
PubChem CID59083653
Molecular FormulaC20H40O4Si
Molecular Weight372.62 g/mol
Exact Mass372.27
IUPAC Name[1-[tert-butyl(dimethyl)silyl]oxy-3-hex-1-en-2-yloxypropan-2-yl] pentanoate
SMILESC=C(CCCC)OCC(CO[Si](C)(C)C(C)(C)C)OC(=O)CCCC
InChIInChI=1S/C20H40O4Si/c1-9-11-13-17(3)22-15-18(24-19(21)14-12-10-2)16-23-25(7,8)20(4,5)6/h18H,3,9-16H2,1-2,4-8H3
InChIKeyVOAKBGPQXQYAMY-UHFFFAOYSA-N
XLogP5.83
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.62
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-enoate
CID 10735215
Ethyl 2-[dimethyl(propan-2-yloxy)silyl]-4-methylpent-4-enoate
CID 10956254
1-[Tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl butanoate
CID 46201682
[(3R)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl] butanoate
CID 46201683
[(3S)-2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate
CID 102277375
2-[2-(6-Triethoxysilylhex-1-en-2-yloxy)ethoxy]ethyl 5-triethoxysilylpentanoate
CID 161707682

Frequently Asked Questions

What is the IUPAC name of [1-[tert-butyl(dimethyl)silyl]oxy-3-hex-1-en-2-yloxypropan-2-yl] pentanoate?
The IUPAC name of [1-[tert-butyl(dimethyl)silyl]oxy-3-hex-1-en-2-yloxypropan-2-yl] pentanoate (CID 59083653) is [1-[tert-butyl(dimethyl)silyl]oxy-3-hex-1-en-2-yloxypropan-2-yl] pentanoate.
What is the SMILES notation for [1-[tert-butyl(dimethyl)silyl]oxy-3-hex-1-en-2-yloxypropan-2-yl] pentanoate?
The canonical SMILES for [1-[tert-butyl(dimethyl)silyl]oxy-3-hex-1-en-2-yloxypropan-2-yl] pentanoate is C=C(CCCC)OCC(CO[Si](C)(C)C(C)(C)C)OC(=O)CCCC.
What is the InChIKey of [1-[tert-butyl(dimethyl)silyl]oxy-3-hex-1-en-2-yloxypropan-2-yl] pentanoate?
The InChIKey is VOAKBGPQXQYAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O4Si/c1-9-11-13-17(3)22-15-18(24-19(21)14-12-10-2)16-23-25(7,8)20(4,5)6/h18H,3,9-16H2,1-2,4-8H3.
What are the key properties of [1-[tert-butyl(dimethyl)silyl]oxy-3-hex-1-en-2-yloxypropan-2-yl] pentanoate?
[1-[tert-butyl(dimethyl)silyl]oxy-3-hex-1-en-2-yloxypropan-2-yl] pentanoate has a molecular weight of 372.62 g/mol, XLogP of 5.83, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[tert-butyl(dimethyl)silyl]oxy-3-hex-1-en-2-yloxypropan-2-yl] pentanoate is sourced from PubChem (CID 59083653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).