(7S)-7-tri(propan-2-yl)silyloxytetradeca-4,5-dienal

C23H44O2Si — CID 11068952

IUPAC(7S)-7-tri(propan-2-yl)silyloxytetradeca-4,5-dienal
SMILESCCCCCCC[C@@H](C=C=CCCC=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H44O2Si/c1-8-9-10-11-14-17-23(18-15-12-13-16-19-24)25-26(20(2)3,21(4)5)22(6)7/h12,18-23H,8-11,13-14,16-17H2,1-7H3/t15?,23-/m0/s1
InChIKeyZLLUQLXHLZFMGJ-GMTBNIFVSA-N
MW380.69 g/mol
LogP7.60
Rot. Bonds15

About (7S)-7-tri(propan-2-yl)silyloxytetradeca-4,5-dienal

(7S)-7-tri(propan-2-yl)silyloxytetradeca-4,5-dienal (PubChem CID 11068952) has the molecular formula C23H44O2Si and a molecular weight of 380.69 g/mol. Its IUPAC name is (7S)-7-tri(propan-2-yl)silyloxytetradeca-4,5-dienal.

Molecular Properties

Compound Name(7S)-7-tri(propan-2-yl)silyloxytetradeca-4,5-dienal
PubChem CID11068952
Molecular FormulaC23H44O2Si
Molecular Weight380.69 g/mol
Exact Mass380.31
IUPAC Name(7S)-7-tri(propan-2-yl)silyloxytetradeca-4,5-dienal
SMILESCCCCCCC[C@@H](C=C=CCCC=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H44O2Si/c1-8-9-10-11-14-17-23(18-15-12-13-16-19-24)25-26(20(2)3,21(4)5)22(6)7/h12,18-23H,8-11,13-14,16-17H2,1-7H3/t15?,23-/m0/s1
InChIKeyZLLUQLXHLZFMGJ-GMTBNIFVSA-N
XLogP7.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.69
LogP ≤ 57.60
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'}

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Related Compounds

(E)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-4-enal
CID 10453377
3-Trimethylsilyloxydec-1-en-1-one
CID 140333719
3-[Ethyl(dimethyl)silyl]oxydec-1-en-1-one
CID 140333731
3-Trimethylsilyloxynon-1-en-1-one
CID 140333734
9-Oxo-7-trimethylsilyloxynon-8-enal
CID 140333761
8-[Tert-butyl(dimethyl)silyl]oxydec-9-enal
CID 10589156
Triethyl(undeca-1,2-dien-4-yloxy)silane
CID 14936988
Tri(propan-2-yl)-undeca-1,2-dien-4-yloxysilane
CID 14936989
(6S)-6-[tert-butyl(dimethyl)silyl]oxyundec-10-enal
CID 44195743
4-[Tert-butyl(dimethyl)silyl]oxyundec-10-enal
CID 177405710

Frequently Asked Questions

What is the IUPAC name of (7S)-7-tri(propan-2-yl)silyloxytetradeca-4,5-dienal?
The IUPAC name of (7S)-7-tri(propan-2-yl)silyloxytetradeca-4,5-dienal (CID 11068952) is (7S)-7-tri(propan-2-yl)silyloxytetradeca-4,5-dienal.
What is the SMILES notation for (7S)-7-tri(propan-2-yl)silyloxytetradeca-4,5-dienal?
The canonical SMILES for (7S)-7-tri(propan-2-yl)silyloxytetradeca-4,5-dienal is CCCCCCC[C@@H](C=C=CCCC=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (7S)-7-tri(propan-2-yl)silyloxytetradeca-4,5-dienal?
The InChIKey is ZLLUQLXHLZFMGJ-GMTBNIFVSA-N. The full InChI is InChI=1S/C23H44O2Si/c1-8-9-10-11-14-17-23(18-15-12-13-16-19-24)25-26(20(2)3,21(4)5)22(6)7/h12,18-23H,8-11,13-14,16-17H2,1-7H3/t15?,23-/m0/s1.
What are the key properties of (7S)-7-tri(propan-2-yl)silyloxytetradeca-4,5-dienal?
(7S)-7-tri(propan-2-yl)silyloxytetradeca-4,5-dienal has a molecular weight of 380.69 g/mol, XLogP of 7.60, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-tri(propan-2-yl)silyloxytetradeca-4,5-dienal is sourced from PubChem (CID 11068952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).