[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate

C24H48O4Si2 — CID 53381042

IUPAC[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate
SMILESC=CC[C@H](CCC(=O)O[C@H](C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O4Si2/c1-14-16-20(27-29(10,11)23(4,5)6)17-18-22(25)26-19(3)21(15-2)28-30(12,13)24(7,8)9/h14-15,19-21H,1-2,16-18H2,3-13H3/t19-,20-,21-/m1/s1
InChIKeyOVISWUMFEWTEJC-NJDAHSKKSA-N
MW456.82 g/mol
LogP7.24
Rot. Bonds12

About [(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate

[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate (PubChem CID 53381042) has the molecular formula C24H48O4Si2 and a molecular weight of 456.82 g/mol. Its IUPAC name is [(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate.

Molecular Properties

Compound Name[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate
PubChem CID53381042
Molecular FormulaC24H48O4Si2
Molecular Weight456.82 g/mol
Exact Mass456.31
IUPAC Name[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate
SMILESC=CC[C@H](CCC(=O)O[C@H](C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O4Si2/c1-14-16-20(27-29(10,11)23(4,5)6)17-18-22(25)26-19(3)21(15-2)28-30(12,13)24(7,8)9/h14-15,19-21H,1-2,16-18H2,3-13H3/t19-,20-,21-/m1/s1
InChIKeyOVISWUMFEWTEJC-NJDAHSKKSA-N
XLogP7.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.82
LogP ≤ 57.24
H-Bond Donors ≤ 50
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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Related Compounds

(2R,3R,4S,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one
CID 11363081
[(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] (E,3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-iodohex-5-enoate
CID 11966878
[(2S)-pent-4-en-2-yl] (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate
CID 11453876
2-[3-[[[3-(2-Hept-6-enoyloxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl hept-6-enoate
CID 172142206
[(2R)-pent-4-en-2-yl] (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate
CID 11048757
[(4R,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-en-4-yl] (2R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 11342536
[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexanoate
CID 24770703
[(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-yl] hexanoate
CID 25267461
[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] (E,3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-iodohex-5-enoate
CID 101166345
3-[tert-butyl(dimethyl)silyl]oxypropyl (E,3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-iodohex-5-enoate
CID 101166346

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate?
The IUPAC name of [(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate (CID 53381042) is [(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate.
What is the SMILES notation for [(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate?
The canonical SMILES for [(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate is C=CC[C@H](CCC(=O)O[C@H](C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate?
The InChIKey is OVISWUMFEWTEJC-NJDAHSKKSA-N. The full InChI is InChI=1S/C24H48O4Si2/c1-14-16-20(27-29(10,11)23(4,5)6)17-18-22(25)26-19(3)21(15-2)28-30(12,13)24(7,8)9/h14-15,19-21H,1-2,16-18H2,3-13H3/t19-,20-,21-/m1/s1.
What are the key properties of [(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate?
[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate has a molecular weight of 456.82 g/mol, XLogP of 7.24, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate is sourced from PubChem (CID 53381042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).