(1R)-1-[(2S,5S)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]pent-4-en-1-ol

C30H58O4Si — CID 11443621

IUPAC(1R)-1-[(2S,5S)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]pent-4-en-1-ol
SMILESC=CCC[C@@H](O)[C@@H]1CC[C@@H]([C@@H]2CC[C@H]([C@@H](CCCCCCCCCC)O[Si](C)(C)C(C)(C)C)O2)O1
InChIInChI=1S/C30H58O4Si/c1-8-10-12-13-14-15-16-17-19-29(34-35(6,7)30(3,4)5)28-23-22-27(33-28)26-21-20-25(32-26)24(31)18-11-9-2/h9,24-29,31H,2,8,10-23H2,1,3-7H3/t24-,25+,26+,27+,28-,29-/m1/s1
InChIKeyFQKZYILHAJMEEL-OROIKLIRSA-N
MW510.88 g/mol
LogP8.33
Rot. Bonds17

About (1R)-1-[(2S,5S)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]pent-4-en-1-ol

(1R)-1-[(2S,5S)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]pent-4-en-1-ol (PubChem CID 11443621) has the molecular formula C30H58O4Si and a molecular weight of 510.88 g/mol. Its IUPAC name is (1R)-1-[(2S,5S)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]pent-4-en-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2S,5S)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]pent-4-en-1-ol
PubChem CID11443621
Molecular FormulaC30H58O4Si
Molecular Weight510.88 g/mol
Exact Mass510.41
IUPAC Name(1R)-1-[(2S,5S)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]pent-4-en-1-ol
SMILESC=CCC[C@@H](O)[C@@H]1CC[C@@H]([C@@H]2CC[C@H]([C@@H](CCCCCCCCCC)O[Si](C)(C)C(C)(C)C)O2)O1
InChIInChI=1S/C30H58O4Si/c1-8-10-12-13-14-15-16-17-19-29(34-35(6,7)30(3,4)5)28-23-22-27(33-28)26-21-20-25(32-26)24(31)18-11-9-2/h9,24-29,31H,2,8,10-23H2,1,3-7H3/t24-,25+,26+,27+,28-,29-/m1/s1
InChIKeyFQKZYILHAJMEEL-OROIKLIRSA-N
XLogP8.33
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.88
LogP ≤ 58.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[(2R,5S)-5-[(2S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]but-3-en-1-ol
CID 11179481
[(2S,5S)-5-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolan-2-yl]methanol
CID 11237078
[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolan-2-yl]methanol
CID 11477262
(1R)-1-[(2R,5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-yl]prop-2-en-1-ol
CID 11846081
[(2R,5S)-5-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolan-2-yl]methanol
CID 101247559
[(2S,5R)-5-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolan-2-yl]methanol
CID 101247560
1-[(4S,5S)-5-[(4S)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 134841869
1-[(4S,5R)-5-[(4S)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 134841998
[(2S,5S)-5-[(2S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolan-2-yl]methanol
CID 134864025
[(2R,5R)-5-[(2S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolan-2-yl]methanol
CID 134864026
[(2R,5S)-5-[(2S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolan-2-yl]methanol
CID 134864027
[(2S,5R)-5-[(2S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolan-2-yl]methanol
CID 134864028

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S,5S)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]pent-4-en-1-ol?
The IUPAC name of (1R)-1-[(2S,5S)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]pent-4-en-1-ol (CID 11443621) is (1R)-1-[(2S,5S)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]pent-4-en-1-ol.
What is the SMILES notation for (1R)-1-[(2S,5S)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]pent-4-en-1-ol?
The canonical SMILES for (1R)-1-[(2S,5S)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]pent-4-en-1-ol is C=CCC[C@@H](O)[C@@H]1CC[C@@H]([C@@H]2CC[C@H]([C@@H](CCCCCCCCCC)O[Si](C)(C)C(C)(C)C)O2)O1.
What is the InChIKey of (1R)-1-[(2S,5S)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]pent-4-en-1-ol?
The InChIKey is FQKZYILHAJMEEL-OROIKLIRSA-N. The full InChI is InChI=1S/C30H58O4Si/c1-8-10-12-13-14-15-16-17-19-29(34-35(6,7)30(3,4)5)28-23-22-27(33-28)26-21-20-25(32-26)24(31)18-11-9-2/h9,24-29,31H,2,8,10-23H2,1,3-7H3/t24-,25+,26+,27+,28-,29-/m1/s1.
What are the key properties of (1R)-1-[(2S,5S)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]pent-4-en-1-ol?
(1R)-1-[(2S,5S)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]pent-4-en-1-ol has a molecular weight of 510.88 g/mol, XLogP of 8.33, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S,5S)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]pent-4-en-1-ol is sourced from PubChem (CID 11443621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).