(3E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-3,5-dienal

C15H28O2Si — CID 91999004

IUPAC(3E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-3,5-dienal
SMILESC=C/C=C/C(C=O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-7-8-10-14(13-16)11-9-12-17-18(5,6)15(2,3)4/h7-8,10,13-14H,1,9,11-12H2,2-6H3/b10-8+
InChIKeyGAFWAHHXGLGVJX-CSKARUKUSA-N
MW268.47 g/mol
LogP4.35
Rot. Bonds8

About (3E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-3,5-dienal

(3E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-3,5-dienal (PubChem CID 91999004) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is (3E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-3,5-dienal.

Molecular Properties

Compound Name(3E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-3,5-dienal
PubChem CID91999004
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name(3E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-3,5-dienal
SMILESC=C/C=C/C(C=O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-7-8-10-14(13-16)11-9-12-17-18(5,6)15(2,3)4/h7-8,10,13-14H,1,9,11-12H2,2-6H3/b10-8+
InChIKeyGAFWAHHXGLGVJX-CSKARUKUSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.35
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-3,5-dienal?
The IUPAC name of (3E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-3,5-dienal (CID 91999004) is (3E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-3,5-dienal.
What is the SMILES notation for (3E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-3,5-dienal?
The canonical SMILES for (3E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-3,5-dienal is C=C/C=C/C(C=O)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-3,5-dienal?
The InChIKey is GAFWAHHXGLGVJX-CSKARUKUSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-7-8-10-14(13-16)11-9-12-17-18(5,6)15(2,3)4/h7-8,10,13-14H,1,9,11-12H2,2-6H3/b10-8+.
What are the key properties of (3E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-3,5-dienal?
(3E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-3,5-dienal has a molecular weight of 268.47 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-3,5-dienal is sourced from PubChem (CID 91999004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).