(1S)-1-[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]dec-9-en-1-ol

C25H50O3Si — CID 10670138

IUPAC(1S)-1-[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]dec-9-en-1-ol
SMILESC=CCCCCCCC[C@H](O)[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CCCCC)O1
InChIInChI=1S/C25H50O3Si/c1-8-10-12-13-14-15-17-18-21(26)23-20-24(22(27-23)19-16-11-9-2)28-29(6,7)25(3,4)5/h8,21-24,26H,1,9-20H2,2-7H3/t21-,22-,23+,24-/m0/s1
InChIKeyXMVYBVOHYRCOLT-XQUALCHDSA-N
MW426.76 g/mol
LogP7.39
Rot. Bonds15

About (1S)-1-[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]dec-9-en-1-ol

(1S)-1-[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]dec-9-en-1-ol (PubChem CID 10670138) has the molecular formula C25H50O3Si and a molecular weight of 426.76 g/mol. Its IUPAC name is (1S)-1-[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]dec-9-en-1-ol.

Molecular Properties

Compound Name(1S)-1-[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]dec-9-en-1-ol
PubChem CID10670138
Molecular FormulaC25H50O3Si
Molecular Weight426.76 g/mol
Exact Mass426.35
IUPAC Name(1S)-1-[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]dec-9-en-1-ol
SMILESC=CCCCCCCC[C@H](O)[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CCCCC)O1
InChIInChI=1S/C25H50O3Si/c1-8-10-12-13-14-15-17-18-21(26)23-20-24(22(27-23)19-16-11-9-2)28-29(6,7)25(3,4)5/h8,21-24,26H,1,9-20H2,2-7H3/t21-,22-,23+,24-/m0/s1
InChIKeyXMVYBVOHYRCOLT-XQUALCHDSA-N
XLogP7.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.76
LogP ≤ 57.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Cobra-1
CID 9819996
(2s,3s,5s)-5-[(1s)-1-Hydroxydec-9-en-1-yl]-2-pentyltetrahydrofuran-3-ol
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(6s,7s,9r,10r)-6,9-Epoxynonadec-18-ene-7,10-diol
CID 11120550
5-(1-Hydroxy-9-decenyl)-2-pentyltetrahydro-3-furanol
CID 494498
(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
(1R)-1-[(2R,5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-yl]prop-2-en-1-ol
CID 11846081
(4S,8S)-6-[tert-butyl(dimethyl)silyl]oxyundeca-1,10-diene-4,8-diol
CID 16059317
(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxydec-9-ene-1,3-diol
CID 16119966
[(2S,5R)-5-but-3-enyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 25138560
(3R,5R,6R)-3-[tert-butyl(dimethyl)silyl]oxydeca-1,9-diene-5,6-diol
CID 50915370
5-[(1S)-1-hydroxydec-9-enyl]-2-pentyloxolan-3-ol
CID 91039345
(6aR,8S,9S,9aS)-2,2,4,4-tetra(propan-2-yl)-8-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol
CID 101471318

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]dec-9-en-1-ol?
The IUPAC name of (1S)-1-[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]dec-9-en-1-ol (CID 10670138) is (1S)-1-[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]dec-9-en-1-ol.
What is the SMILES notation for (1S)-1-[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]dec-9-en-1-ol?
The canonical SMILES for (1S)-1-[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]dec-9-en-1-ol is C=CCCCCCCC[C@H](O)[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CCCCC)O1.
What is the InChIKey of (1S)-1-[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]dec-9-en-1-ol?
The InChIKey is XMVYBVOHYRCOLT-XQUALCHDSA-N. The full InChI is InChI=1S/C25H50O3Si/c1-8-10-12-13-14-15-17-18-21(26)23-20-24(22(27-23)19-16-11-9-2)28-29(6,7)25(3,4)5/h8,21-24,26H,1,9-20H2,2-7H3/t21-,22-,23+,24-/m0/s1.
What are the key properties of (1S)-1-[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]dec-9-en-1-ol?
(1S)-1-[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]dec-9-en-1-ol has a molecular weight of 426.76 g/mol, XLogP of 7.39, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]dec-9-en-1-ol is sourced from PubChem (CID 10670138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).