CID 134931502

C26H54O4Si3 — CID 134931502

IUPAC—
SMILESCC[Si](CC)OC[C@H](C)[C@@H](O[Si](CC)CC)[C@@H](C)C#C[C@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H54O4Si3/c1-13-31(14-2)28-19-23(7)25(30-32(15-3)16-4)21(5)17-18-24(27)22(6)20-29-33(11,12)26(8,9)10/h21-25,27H,13-16,19-20H2,1-12H3/t21-,22-,23-,24-,25-/m0/s1
InChIKeyAZIQUQHUSGXTEX-KEOOTSPTSA-N
MW514.97 g/mol
LogP6.75
Rot. Bonds15

About CID 134931502

CID 134931502 (PubChem CID 134931502) has the molecular formula C26H54O4Si3 and a molecular weight of 514.97 g/mol.

Molecular Properties

Compound NameCID 134931502
PubChem CID134931502
Molecular FormulaC26H54O4Si3
Molecular Weight514.97 g/mol
Exact Mass514.33
IUPAC Name—
SMILESCC[Si](CC)OC[C@H](C)[C@@H](O[Si](CC)CC)[C@@H](C)C#C[C@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H54O4Si3/c1-13-31(14-2)28-19-23(7)25(30-32(15-3)16-4)21(5)17-18-24(27)22(6)20-29-33(11,12)26(8,9)10/h21-25,27H,13-16,19-20H2,1-12H3/t21-,22-,23-,24-,25-/m0/s1
InChIKeyAZIQUQHUSGXTEX-KEOOTSPTSA-N
XLogP6.75
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.97
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentan-1-ol
CID 11035844
(2S,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol
CID 91394804
(2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol
CID 10682541
(3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol
CID 11111243
(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentan-1-ol
CID 11302959
(3S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilyloxy-1-trimethylsilylhept-1-yn-3-ol
CID 11305351
(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1-trimethylsilyloct-1-yn-3-ol
CID 11393738
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1-trimethylsilyloct-1-yn-3-ol
CID 11416604
(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-yn-3-ol
CID 11499711
tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-ynoxy]-dimethylsilane
CID 11544935
tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-triethylsilyloxyhex-5-ynoxy]silane
CID 11602878
(2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol
CID 11618217

Frequently Asked Questions

What is the IUPAC name of CID 134931502?
The IUPAC name of CID 134931502 (CID 134931502) is not available.
What is the SMILES notation for CID 134931502?
The canonical SMILES for CID 134931502 is CC[Si](CC)OC[C@H](C)[C@@H](O[Si](CC)CC)[C@@H](C)C#C[C@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of CID 134931502?
The InChIKey is AZIQUQHUSGXTEX-KEOOTSPTSA-N. The full InChI is InChI=1S/C26H54O4Si3/c1-13-31(14-2)28-19-23(7)25(30-32(15-3)16-4)21(5)17-18-24(27)22(6)20-29-33(11,12)26(8,9)10/h21-25,27H,13-16,19-20H2,1-12H3/t21-,22-,23-,24-,25-/m0/s1.
What are the key properties of CID 134931502?
CID 134931502 has a molecular weight of 514.97 g/mol, XLogP of 6.75, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134931502 is sourced from PubChem (CID 134931502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).