(3S)-3-[tert-butyl(dimethyl)silyl]oxytetradecan-1-ol

C20H44O2Si — CID 134864007

IUPAC(3S)-3-[tert-butyl(dimethyl)silyl]oxytetradecan-1-ol
SMILESCCCCCCCCCCC[C@@H](CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H44O2Si/c1-7-8-9-10-11-12-13-14-15-16-19(17-18-21)22-23(5,6)20(2,3)4/h19,21H,7-18H2,1-6H3/t19-/m0/s1
InChIKeyWOUDGKLRLYISOC-IBGZPJMESA-N
MW344.66 g/mol
LogP6.68
Rot. Bonds14

About (3S)-3-[tert-butyl(dimethyl)silyl]oxytetradecan-1-ol

(3S)-3-[tert-butyl(dimethyl)silyl]oxytetradecan-1-ol (PubChem CID 134864007) has the molecular formula C20H44O2Si and a molecular weight of 344.66 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(dimethyl)silyl]oxytetradecan-1-ol.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(dimethyl)silyl]oxytetradecan-1-ol
PubChem CID134864007
Molecular FormulaC20H44O2Si
Molecular Weight344.66 g/mol
Exact Mass344.31
IUPAC Name(3S)-3-[tert-butyl(dimethyl)silyl]oxytetradecan-1-ol
SMILESCCCCCCCCCCC[C@@H](CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H44O2Si/c1-7-8-9-10-11-12-13-14-15-16-19(17-18-21)22-23(5,6)20(2,3)4/h19,21H,7-18H2,1-6H3/t19-/m0/s1
InChIKeyWOUDGKLRLYISOC-IBGZPJMESA-N
XLogP6.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.66
LogP ≤ 56.68
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'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxytetradecan-1-ol?
The IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxytetradecan-1-ol (CID 134864007) is (3S)-3-[tert-butyl(dimethyl)silyl]oxytetradecan-1-ol.
What is the SMILES notation for (3S)-3-[tert-butyl(dimethyl)silyl]oxytetradecan-1-ol?
The canonical SMILES for (3S)-3-[tert-butyl(dimethyl)silyl]oxytetradecan-1-ol is CCCCCCCCCCC[C@@H](CCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S)-3-[tert-butyl(dimethyl)silyl]oxytetradecan-1-ol?
The InChIKey is WOUDGKLRLYISOC-IBGZPJMESA-N. The full InChI is InChI=1S/C20H44O2Si/c1-7-8-9-10-11-12-13-14-15-16-19(17-18-21)22-23(5,6)20(2,3)4/h19,21H,7-18H2,1-6H3/t19-/m0/s1.
What are the key properties of (3S)-3-[tert-butyl(dimethyl)silyl]oxytetradecan-1-ol?
(3S)-3-[tert-butyl(dimethyl)silyl]oxytetradecan-1-ol has a molecular weight of 344.66 g/mol, XLogP of 6.68, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[tert-butyl(dimethyl)silyl]oxytetradecan-1-ol is sourced from PubChem (CID 134864007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).