(4R)-4-[tert-butyl(dimethyl)silyl]oxytetradec-5-ynal

C20H38O2Si — CID 23642938

IUPAC(4R)-4-[tert-butyl(dimethyl)silyl]oxytetradec-5-ynal
SMILESCCCCCCCCC#C[C@@H](CCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O2Si/c1-7-8-9-10-11-12-13-14-16-19(17-15-18-21)22-23(5,6)20(2,3)4/h18-19H,7-13,15,17H2,1-6H3/t19-/m0/s1
InChIKeyCIHYOGONFZQKRY-IBGZPJMESA-N
MW338.61 g/mol
LogP6.11
Rot. Bonds11

About (4R)-4-[tert-butyl(dimethyl)silyl]oxytetradec-5-ynal

(4R)-4-[tert-butyl(dimethyl)silyl]oxytetradec-5-ynal (PubChem CID 23642938) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is (4R)-4-[tert-butyl(dimethyl)silyl]oxytetradec-5-ynal.

Molecular Properties

Compound Name(4R)-4-[tert-butyl(dimethyl)silyl]oxytetradec-5-ynal
PubChem CID23642938
Molecular FormulaC20H38O2Si
Molecular Weight338.61 g/mol
Exact Mass338.26
IUPAC Name(4R)-4-[tert-butyl(dimethyl)silyl]oxytetradec-5-ynal
SMILESCCCCCCCCC#C[C@@H](CCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O2Si/c1-7-8-9-10-11-12-13-14-16-19(17-15-18-21)22-23(5,6)20(2,3)4/h18-19H,7-13,15,17H2,1-6H3/t19-/m0/s1
InChIKeyCIHYOGONFZQKRY-IBGZPJMESA-N
XLogP6.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[Ditert-butyl(oct-1-ynyl)silyl]oxyhexanal
CID 10808929
(6S)-6-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-7-ynal
CID 25034379

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxytetradec-5-ynal?
The IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxytetradec-5-ynal (CID 23642938) is (4R)-4-[tert-butyl(dimethyl)silyl]oxytetradec-5-ynal.
What is the SMILES notation for (4R)-4-[tert-butyl(dimethyl)silyl]oxytetradec-5-ynal?
The canonical SMILES for (4R)-4-[tert-butyl(dimethyl)silyl]oxytetradec-5-ynal is CCCCCCCCC#C[C@@H](CCC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R)-4-[tert-butyl(dimethyl)silyl]oxytetradec-5-ynal?
The InChIKey is CIHYOGONFZQKRY-IBGZPJMESA-N. The full InChI is InChI=1S/C20H38O2Si/c1-7-8-9-10-11-12-13-14-16-19(17-15-18-21)22-23(5,6)20(2,3)4/h18-19H,7-13,15,17H2,1-6H3/t19-/m0/s1.
What are the key properties of (4R)-4-[tert-butyl(dimethyl)silyl]oxytetradec-5-ynal?
(4R)-4-[tert-butyl(dimethyl)silyl]oxytetradec-5-ynal has a molecular weight of 338.61 g/mol, XLogP of 6.11, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[tert-butyl(dimethyl)silyl]oxytetradec-5-ynal is sourced from PubChem (CID 23642938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).