(Z,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal

C16H32O2Si — CID 10636838

IUPAC(Z,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal
SMILESCCCCC/C=C\C[C@@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-7-8-9-10-11-12-13-15(14-17)18-19(5,6)16(2,3)4/h11-12,14-15H,7-10,13H2,1-6H3/b12-11-/t15-/m0/s1
InChIKeyVABPBQIUDPQHKT-SSCKCOOKSA-N
MW284.52 g/mol
LogP5.10
Rot. Bonds9

About (Z,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal

(Z,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal (PubChem CID 10636838) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (Z,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal.

Molecular Properties

Compound Name(Z,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal
PubChem CID10636838
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(Z,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal
SMILESCCCCC/C=C\C[C@@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-7-8-9-10-11-12-13-15(14-17)18-19(5,6)16(2,3)4/h11-12,14-15H,7-10,13H2,1-6H3/b12-11-/t15-/m0/s1
InChIKeyVABPBQIUDPQHKT-SSCKCOOKSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.52
LogP ≤ 55.10
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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Related Compounds

(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-5-enal
CID 101902361
(3R,5Z,8Z)-3-[tert-butyl(dimethyl)silyl]oxytetradeca-5,8-dienal
CID 10830885
(Z,2R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-enal
CID 10904450
(E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-enal
CID 11961736
(Z)-4-[tert-butyl(dimethyl)silyl]oxydodec-6-enal
CID 14409373
(2E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxonona-2,8-dienal
CID 53494078
5-Methyl-2-(3-methylbut-2-enyl)-2-triethylsilyloxyhex-4-enal
CID 102401914
(6S)-2,9-dimethyl-6-triethylsilyloxydeca-2,8-dien-5-one
CID 102401926
(Z)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal
CID 134895328
(6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-one
CID 155933052
(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-enal
CID 155934417
(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enal
CID 11241365

Frequently Asked Questions

What is the IUPAC name of (Z,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal?
The IUPAC name of (Z,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal (CID 10636838) is (Z,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal.
What is the SMILES notation for (Z,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal?
The canonical SMILES for (Z,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal is CCCCC/C=C\C[C@@H](C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal?
The InChIKey is VABPBQIUDPQHKT-SSCKCOOKSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-7-8-9-10-11-12-13-15(14-17)18-19(5,6)16(2,3)4/h11-12,14-15H,7-10,13H2,1-6H3/b12-11-/t15-/m0/s1.
What are the key properties of (Z,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal?
(Z,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal has a molecular weight of 284.52 g/mol, XLogP of 5.10, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal is sourced from PubChem (CID 10636838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).