(3R,4R)-14-[tert-butyl(dimethyl)silyl]oxy-9,9,10,10-tetradeuterio-4-trimethylsilyltetradecan-3-ol

C23H52O2Si2 — CID 10862726

IUPAC(3R,4R)-14-[tert-butyl(dimethyl)silyl]oxy-9,9,10,10-tetradeuterio-4-trimethylsilyltetradecan-3-ol
SMILES[2H]C([2H])(CCCCO[Si](C)(C)C(C)(C)C)C([2H])([2H])CCCC[C@H]([C@H](O)CC)[Si](C)(C)C
InChIInChI=1S/C23H52O2Si2/c1-10-21(24)22(26(5,6)7)19-17-15-13-11-12-14-16-18-20-25-27(8,9)23(2,3)4/h21-22,24H,10-20H2,1-9H3/t21-,22-/m1/s1/i11D2,12D2
InChIKeyZGONPIKLWQNLAE-IIMUTNRESA-N
MW420.86 g/mol
LogP8.00
Rot. Bonds15

About (3R,4R)-14-[tert-butyl(dimethyl)silyl]oxy-9,9,10,10-tetradeuterio-4-trimethylsilyltetradecan-3-ol

(3R,4R)-14-[tert-butyl(dimethyl)silyl]oxy-9,9,10,10-tetradeuterio-4-trimethylsilyltetradecan-3-ol (PubChem CID 10862726) has the molecular formula C23H52O2Si2 and a molecular weight of 420.86 g/mol. Its IUPAC name is (3R,4R)-14-[tert-butyl(dimethyl)silyl]oxy-9,9,10,10-tetradeuterio-4-trimethylsilyltetradecan-3-ol.

Molecular Properties

Compound Name(3R,4R)-14-[tert-butyl(dimethyl)silyl]oxy-9,9,10,10-tetradeuterio-4-trimethylsilyltetradecan-3-ol
PubChem CID10862726
Molecular FormulaC23H52O2Si2
Molecular Weight420.86 g/mol
Exact Mass420.38
IUPAC Name(3R,4R)-14-[tert-butyl(dimethyl)silyl]oxy-9,9,10,10-tetradeuterio-4-trimethylsilyltetradecan-3-ol
SMILES[2H]C([2H])(CCCCO[Si](C)(C)C(C)(C)C)C([2H])([2H])CCCC[C@H]([C@H](O)CC)[Si](C)(C)C
InChIInChI=1S/C23H52O2Si2/c1-10-21(24)22(26(5,6)7)19-17-15-13-11-12-14-16-18-20-25-27(8,9)23(2,3)4/h21-22,24H,10-20H2,1-9H3/t21-,22-/m1/s1/i11D2,12D2
InChIKeyZGONPIKLWQNLAE-IIMUTNRESA-N
XLogP8.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.86
LogP ≤ 58.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R,4R)-14-[tert-butyl(dimethyl)silyl]oxy-9,9,10,10-tetradeuterio-4-trimethylsilyltetradecan-3-ol with MolForge

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Related Compounds

tert-butyl-dimethyl-(13-methylpentadecoxy)silane
CID 6430276
tert-butyl-dimethyl-(3,3,4,4-tetradeuteriononoxy)silane
CID 10753997
(3R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-1,3-diol
CID 15605935
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
10-[tert-butyl(dimethyl)silyl]oxy-1,1-dideuteriodecan-1-ol
CID 102212924
(3S)-1-[tert-butyl(dimethyl)silyl]oxydecan-3-ol
CID 125490283
(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 163365178
tert-butyl-hexacosoxy-dimethylsilane
CID 6430213
13-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltridec-1-yn-7-ol
CID 86668329
1-amino-5-[tert-butyl(dimethyl)silyl]oxypentan-2-ol
CID 101445135

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-14-[tert-butyl(dimethyl)silyl]oxy-9,9,10,10-tetradeuterio-4-trimethylsilyltetradecan-3-ol?
The IUPAC name of (3R,4R)-14-[tert-butyl(dimethyl)silyl]oxy-9,9,10,10-tetradeuterio-4-trimethylsilyltetradecan-3-ol (CID 10862726) is (3R,4R)-14-[tert-butyl(dimethyl)silyl]oxy-9,9,10,10-tetradeuterio-4-trimethylsilyltetradecan-3-ol.
What is the SMILES notation for (3R,4R)-14-[tert-butyl(dimethyl)silyl]oxy-9,9,10,10-tetradeuterio-4-trimethylsilyltetradecan-3-ol?
The canonical SMILES for (3R,4R)-14-[tert-butyl(dimethyl)silyl]oxy-9,9,10,10-tetradeuterio-4-trimethylsilyltetradecan-3-ol is [2H]C([2H])(CCCCO[Si](C)(C)C(C)(C)C)C([2H])([2H])CCCC[C@H]([C@H](O)CC)[Si](C)(C)C.
What is the InChIKey of (3R,4R)-14-[tert-butyl(dimethyl)silyl]oxy-9,9,10,10-tetradeuterio-4-trimethylsilyltetradecan-3-ol?
The InChIKey is ZGONPIKLWQNLAE-IIMUTNRESA-N. The full InChI is InChI=1S/C23H52O2Si2/c1-10-21(24)22(26(5,6)7)19-17-15-13-11-12-14-16-18-20-25-27(8,9)23(2,3)4/h21-22,24H,10-20H2,1-9H3/t21-,22-/m1/s1/i11D2,12D2.
What are the key properties of (3R,4R)-14-[tert-butyl(dimethyl)silyl]oxy-9,9,10,10-tetradeuterio-4-trimethylsilyltetradecan-3-ol?
(3R,4R)-14-[tert-butyl(dimethyl)silyl]oxy-9,9,10,10-tetradeuterio-4-trimethylsilyltetradecan-3-ol has a molecular weight of 420.86 g/mol, XLogP of 8.00, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-14-[tert-butyl(dimethyl)silyl]oxy-9,9,10,10-tetradeuterio-4-trimethylsilyltetradecan-3-ol is sourced from PubChem (CID 10862726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).