[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexanoate

C23H48O5Si2 — CID 24770703

IUPAC[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexanoate
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)OC(=O)CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O
InChIInChI=1S/C23H48O5Si2/c1-14-19(27-29(10,11)22(4,5)6)18(3)26-21(25)16-15-20(17(2)24)28-30(12,13)23(7,8)9/h14,17-20,24H,1,15-16H2,2-13H3/t17-,18-,19+,20+/m0/s1
InChIKeyPIUIPOFHWXHZAJ-VNTMZGSJSA-N
MW460.80 g/mol
LogP6.05
Rot. Bonds11

About [(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexanoate

[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexanoate (PubChem CID 24770703) has the molecular formula C23H48O5Si2 and a molecular weight of 460.80 g/mol. Its IUPAC name is [(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexanoate.

Molecular Properties

Compound Name[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexanoate
PubChem CID24770703
Molecular FormulaC23H48O5Si2
Molecular Weight460.80 g/mol
Exact Mass460.30
IUPAC Name[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexanoate
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)OC(=O)CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O
InChIInChI=1S/C23H48O5Si2/c1-14-19(27-29(10,11)22(4,5)6)18(3)26-21(25)16-15-20(17(2)24)28-30(12,13)23(7,8)9/h14,17-20,24H,1,15-16H2,2-13H3/t17-,18-,19+,20+/m0/s1
InChIKeyPIUIPOFHWXHZAJ-VNTMZGSJSA-N
XLogP6.05
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.80
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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,4E,6R,7S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-2-methyl-2,3,6,7,8,9-hexahydrooxecin-10-one
CID 10599440
(2R,3S,4E,6R,7S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-2-methyl-2,3,6,7,8,9-hexahydrooxecin-10-one
CID 10599439
(E,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-iodohept-6-enoic acid
CID 10791919
Ethyl 5,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-enoate
CID 101937869
[(2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl] (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexanoate
CID 135028262
(5S)-5-[(E,1R,4S,5R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxyhex-2-enyl]oxolan-2-one
CID 154709337
[(2R)-1-hydroxypropan-2-yl] (E,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-iodohept-6-enoate
CID 11801215
Propyl 5,6-dihydroxy-2-methylidene-3-tris(trimethylsilyloxy)silylhexanoate
CID 87490540
[(2R,3R,4R,5R)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
CID 173564551
ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyheptadec-6-enoate
CID 10003495
ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoct-6-enoate
CID 10018686
[(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 [(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexanoate?
The IUPAC name of [(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexanoate (CID 24770703) is [(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexanoate.
What is the SMILES notation for [(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexanoate?
The canonical SMILES for [(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexanoate is C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)OC(=O)CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O.
What is the InChIKey of [(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexanoate?
The InChIKey is PIUIPOFHWXHZAJ-VNTMZGSJSA-N. The full InChI is InChI=1S/C23H48O5Si2/c1-14-19(27-29(10,11)22(4,5)6)18(3)26-21(25)16-15-20(17(2)24)28-30(12,13)23(7,8)9/h14,17-20,24H,1,15-16H2,2-13H3/t17-,18-,19+,20+/m0/s1.
What are the key properties of [(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexanoate?
[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexanoate has a molecular weight of 460.80 g/mol, XLogP of 6.05, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexanoate is sourced from PubChem (CID 24770703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).