(2R,3S,4S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylocta-5,7-dienal

C16H30O2Si — CID 11380535

IUPAC(2R,3S,4S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylocta-5,7-dienal
SMILESC=C/C=C\[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=O
InChIInChI=1S/C16H30O2Si/c1-9-10-11-13(2)15(14(3)12-17)18-19(7,8)16(4,5)6/h9-15H,1H2,2-8H3/b11-10-/t13-,14-,15-/m0/s1
InChIKeyOMLWBMPIPBXPOQ-MVFRJPRPSA-N
MW282.50 g/mol
LogP4.59
Rot. Bonds7

About (2R,3S,4S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylocta-5,7-dienal

(2R,3S,4S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylocta-5,7-dienal (PubChem CID 11380535) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is (2R,3S,4S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylocta-5,7-dienal.

Molecular Properties

Compound Name(2R,3S,4S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylocta-5,7-dienal
PubChem CID11380535
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name(2R,3S,4S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylocta-5,7-dienal
SMILESC=C/C=C\[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=O
InChIInChI=1S/C16H30O2Si/c1-9-10-11-13(2)15(14(3)12-17)18-19(7,8)16(4,5)6/h9-15H,1H2,2-8H3/b11-10-/t13-,14-,15-/m0/s1
InChIKeyOMLWBMPIPBXPOQ-MVFRJPRPSA-N
XLogP4.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.59
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,4S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylocta-5,7-dienal?
The IUPAC name of (2R,3S,4S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylocta-5,7-dienal (CID 11380535) is (2R,3S,4S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylocta-5,7-dienal.
What is the SMILES notation for (2R,3S,4S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylocta-5,7-dienal?
The canonical SMILES for (2R,3S,4S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylocta-5,7-dienal is 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,4S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylocta-5,7-dienal?
The InChIKey is OMLWBMPIPBXPOQ-MVFRJPRPSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-9-10-11-13(2)15(14(3)12-17)18-19(7,8)16(4,5)6/h9-15H,1H2,2-8H3/b11-10-/t13-,14-,15-/m0/s1.
What are the key properties of (2R,3S,4S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylocta-5,7-dienal?
(2R,3S,4S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylocta-5,7-dienal has a molecular weight of 282.50 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylocta-5,7-dienal is sourced from PubChem (CID 11380535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).