(3R,5Z,8Z)-3-[tert-butyl(dimethyl)silyl]oxytetradeca-5,8-dienal

C20H38O2Si — CID 10830885

IUPAC(3R,5Z,8Z)-3-[tert-butyl(dimethyl)silyl]oxytetradeca-5,8-dienal
SMILESCCCCC/C=C\C/C=C\C[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O2Si/c1-7-8-9-10-11-12-13-14-15-16-19(17-18-21)22-23(5,6)20(2,3)4/h11-12,14-15,18-19H,7-10,13,16-17H2,1-6H3/b12-11-,15-14-/t19-/m1/s1
InChIKeyPMZXIGLSCIMDNU-PFYCAONCSA-N
MW338.61 g/mol
LogP6.44
Rot. Bonds12

About (3R,5Z,8Z)-3-[tert-butyl(dimethyl)silyl]oxytetradeca-5,8-dienal

(3R,5Z,8Z)-3-[tert-butyl(dimethyl)silyl]oxytetradeca-5,8-dienal (PubChem CID 10830885) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is (3R,5Z,8Z)-3-[tert-butyl(dimethyl)silyl]oxytetradeca-5,8-dienal.

Molecular Properties

Compound Name(3R,5Z,8Z)-3-[tert-butyl(dimethyl)silyl]oxytetradeca-5,8-dienal
PubChem CID10830885
Molecular FormulaC20H38O2Si
Molecular Weight338.61 g/mol
Exact Mass338.26
IUPAC Name(3R,5Z,8Z)-3-[tert-butyl(dimethyl)silyl]oxytetradeca-5,8-dienal
SMILESCCCCC/C=C\C/C=C\C[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O2Si/c1-7-8-9-10-11-12-13-14-15-16-19(17-18-21)22-23(5,6)20(2,3)4/h11-12,14-15,18-19H,7-10,13,16-17H2,1-6H3/b12-11-,15-14-/t19-/m1/s1
InChIKeyPMZXIGLSCIMDNU-PFYCAONCSA-N
XLogP6.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 56.44
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,5Z,8Z)-3-[tert-butyl(dimethyl)silyl]oxytetradeca-5,8-dienal?
The IUPAC name of (3R,5Z,8Z)-3-[tert-butyl(dimethyl)silyl]oxytetradeca-5,8-dienal (CID 10830885) is (3R,5Z,8Z)-3-[tert-butyl(dimethyl)silyl]oxytetradeca-5,8-dienal.
What is the SMILES notation for (3R,5Z,8Z)-3-[tert-butyl(dimethyl)silyl]oxytetradeca-5,8-dienal?
The canonical SMILES for (3R,5Z,8Z)-3-[tert-butyl(dimethyl)silyl]oxytetradeca-5,8-dienal is CCCCC/C=C\C/C=C\C[C@H](CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,5Z,8Z)-3-[tert-butyl(dimethyl)silyl]oxytetradeca-5,8-dienal?
The InChIKey is PMZXIGLSCIMDNU-PFYCAONCSA-N. The full InChI is InChI=1S/C20H38O2Si/c1-7-8-9-10-11-12-13-14-15-16-19(17-18-21)22-23(5,6)20(2,3)4/h11-12,14-15,18-19H,7-10,13,16-17H2,1-6H3/b12-11-,15-14-/t19-/m1/s1.
What are the key properties of (3R,5Z,8Z)-3-[tert-butyl(dimethyl)silyl]oxytetradeca-5,8-dienal?
(3R,5Z,8Z)-3-[tert-butyl(dimethyl)silyl]oxytetradeca-5,8-dienal has a molecular weight of 338.61 g/mol, XLogP of 6.44, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5Z,8Z)-3-[tert-butyl(dimethyl)silyl]oxytetradeca-5,8-dienal is sourced from PubChem (CID 10830885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).