(2R,3S,4R,6E,8E)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldeca-6,8-dienal

C18H34O2Si — CID 71546754

IUPAC(2R,3S,4R,6E,8E)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldeca-6,8-dienal
SMILESC/C=C/C=C/C[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=O
InChIInChI=1S/C18H34O2Si/c1-9-10-11-12-13-15(2)17(16(3)14-19)20-21(7,8)18(4,5)6/h9-12,14-17H,13H2,1-8H3/b10-9+,12-11+/t15-,16+,17+/m1/s1
InChIKeyKNYVSJQELFAOSM-DYZVUPEMSA-N
MW310.55 g/mol
LogP5.37
Rot. Bonds8

About (2R,3S,4R,6E,8E)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldeca-6,8-dienal

(2R,3S,4R,6E,8E)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldeca-6,8-dienal (PubChem CID 71546754) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is (2R,3S,4R,6E,8E)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldeca-6,8-dienal.

Molecular Properties

Compound Name(2R,3S,4R,6E,8E)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldeca-6,8-dienal
PubChem CID71546754
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name(2R,3S,4R,6E,8E)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldeca-6,8-dienal
SMILESC/C=C/C=C/C[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=O
InChIInChI=1S/C18H34O2Si/c1-9-10-11-12-13-15(2)17(16(3)14-19)20-21(7,8)18(4,5)6/h9-12,14-17H,13H2,1-8H3/b10-9+,12-11+/t15-,16+,17+/m1/s1
InChIKeyKNYVSJQELFAOSM-DYZVUPEMSA-N
XLogP5.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 (2R,3S,4R,6E,8E)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldeca-6,8-dienal?
The IUPAC name of (2R,3S,4R,6E,8E)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldeca-6,8-dienal (CID 71546754) is (2R,3S,4R,6E,8E)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldeca-6,8-dienal.
What is the SMILES notation for (2R,3S,4R,6E,8E)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldeca-6,8-dienal?
The canonical SMILES for (2R,3S,4R,6E,8E)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldeca-6,8-dienal is C/C=C/C=C/C[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=O.
What is the InChIKey of (2R,3S,4R,6E,8E)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldeca-6,8-dienal?
The InChIKey is KNYVSJQELFAOSM-DYZVUPEMSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-9-10-11-12-13-15(2)17(16(3)14-19)20-21(7,8)18(4,5)6/h9-12,14-17H,13H2,1-8H3/b10-9+,12-11+/t15-,16+,17+/m1/s1.
What are the key properties of (2R,3S,4R,6E,8E)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldeca-6,8-dienal?
(2R,3S,4R,6E,8E)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldeca-6,8-dienal has a molecular weight of 310.55 g/mol, XLogP of 5.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,6E,8E)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldeca-6,8-dienal is sourced from PubChem (CID 71546754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).