[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] butanoate

C15H30O3Si — CID 154709335

IUPAC[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] butanoate
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)OC(=O)CCC
InChIInChI=1S/C15H30O3Si/c1-9-11-14(16)17-12(3)13(10-2)18-19(7,8)15(4,5)6/h10,12-13H,2,9,11H2,1,3-8H3/t12-,13+/m1/s1
InChIKeyKONQPMQXLITTLX-OLZOCXBDSA-N
MW286.49 g/mol
LogP4.29
Rot. Bonds7

About [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] butanoate

[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] butanoate (PubChem CID 154709335) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] butanoate.

Molecular Properties

Compound Name[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] butanoate
PubChem CID154709335
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] butanoate
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)OC(=O)CCC
InChIInChI=1S/C15H30O3Si/c1-9-11-14(16)17-12(3)13(10-2)18-19(7,8)15(4,5)6/h10,12-13H,2,9,11H2,1,3-8H3/t12-,13+/m1/s1
InChIKeyKONQPMQXLITTLX-OLZOCXBDSA-N
XLogP4.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.29
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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Related Compounds

[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] prop-2-enoate
CID 11323534
[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate
CID 91434141
Ethyl 2-methyl-2-(triethylsiloxy)-4-pentenoate
CID 129741661
Ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
CID 135086453
[(3R)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl] but-3-enoate
CID 56925503
tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 11150361
Tert-butyl 3-[(tert-butyldimethylsilyl)oxy]pent-4-enoate
CID 14926561
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 15382070
tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 56954181
Ethyl 3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 73193423
[(2R)-pent-4-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 123723735
2-[Tert-butyl(dimethyl)silyl]oxyethyl but-3-enoate
CID 139889091

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] butanoate?
The IUPAC name of [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] butanoate (CID 154709335) is [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] butanoate.
What is the SMILES notation for [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] butanoate?
The canonical SMILES for [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] butanoate is C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)OC(=O)CCC.
What is the InChIKey of [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] butanoate?
The InChIKey is KONQPMQXLITTLX-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-9-11-14(16)17-12(3)13(10-2)18-19(7,8)15(4,5)6/h10,12-13H,2,9,11H2,1,3-8H3/t12-,13+/m1/s1.
What are the key properties of [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] butanoate?
[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] butanoate has a molecular weight of 286.49 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] butanoate is sourced from PubChem (CID 154709335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).