[(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

C32H66O5Si3 — CID 11342536

IUPAC[(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
SMILESC=CCC[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O[C@H](CCC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H66O5Si3/c1-19-22-24-27(36-39(15,16)31(7,8)9)29(33)34-26(23-20-2)28(37-40(17,18)32(10,11)12)25(21-3)35-38(13,14)30(4,5)6/h19,21,25-28H,1,3,20,22-24H2,2,4-18H3/t25-,26+,27+,28-/m0/s1
InChIKeyGRJVQOMPYHSSJQ-HFLBTKGNSA-N
MW615.13 g/mol
LogP10.02
Rot. Bonds16

About [(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

[(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 (PubChem CID 11342536) has the molecular formula C32H66O5Si3 and a molecular weight of 615.13 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID11342536
Molecular FormulaC32H66O5Si3
Molecular Weight615.13 g/mol
Exact Mass614.42
IUPAC Name[(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
SMILESC=CCC[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O[C@H](CCC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H66O5Si3/c1-19-22-24-27(36-39(15,16)31(7,8)9)29(33)34-26(23-20-2)28(37-40(17,18)32(10,11)12)25(21-3)35-38(13,14)30(4,5)6/h19,21,25-28H,1,3,20,22-24H2,2,4-18H3/t25-,26+,27+,28-/m0/s1
InChIKeyGRJVQOMPYHSSJQ-HFLBTKGNSA-N
XLogP10.02
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.13
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(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 with MolForge

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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
[(3R,4S,6R)-3,4-bis[tri(propan-2-yl)silyloxy]tridec-1-en-6-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 56594146
(2R,3R,4S,5E,9R)-3,4,9-tris[[tert-butyl(dimethyl)silyl]oxy]-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one
CID 134974586
methyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate
CID 10883940
(2R,4Z,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-2,3,6,7,8,9-hexahydrooxecin-10-one
CID 11004485
[(2S)-pent-4-en-2-yl] (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate
CID 11453876
Ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-enoate
CID 10735215
[1-[Tert-butyl(dimethyl)silyl]oxy-3-hexadec-1-en-3-yloxypropan-2-yl] hexadecanoate
CID 11039643
[(2R)-pent-4-en-2-yl] (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate
CID 11048757
(2S,4Z,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-2,3,6,7,8,9-hexahydrooxecin-10-one
CID 11396259
[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxyoct-7-en-4-yl] hex-5-enoate
CID 16085096
[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate
CID 53381042

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is C=CCC[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O[C@H](CCC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(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?
The InChIKey is GRJVQOMPYHSSJQ-HFLBTKGNSA-N. The full InChI is InChI=1S/C32H66O5Si3/c1-19-22-24-27(36-39(15,16)31(7,8)9)29(33)34-26(23-20-2)28(37-40(17,18)32(10,11)12)25(21-3)35-38(13,14)30(4,5)6/h19,21,25-28H,1,3,20,22-24H2,2,4-18H3/t25-,26+,27+,28-/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 615.13 g/mol, XLogP of 10.02, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 11342536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).