5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-hex-3-en-1,5-diynyl]cyclohexene-1-carbaldehyde

C19H26O2Si — CID 11012487

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-hex-3-en-1,5-diynyl]cyclohexene-1-carbaldehyde
SMILESC#C/C=C\C#CC1(O[Si](C)(C)C(C)(C)C)CCC=C(C=O)C1
InChIInChI=1S/C19H26O2Si/c1-7-8-9-10-13-19(14-11-12-17(15-19)16-20)21-22(5,6)18(2,3)4/h1,8-9,12,16H,11,14-15H2,2-6H3/b9-8-
InChIKeyROQGFDWNHQABTO-HJWRWDBZSA-N
MW314.50 g/mol
LogP4.25
Rot. Bonds3

About 5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-hex-3-en-1,5-diynyl]cyclohexene-1-carbaldehyde

5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-hex-3-en-1,5-diynyl]cyclohexene-1-carbaldehyde (PubChem CID 11012487) has the molecular formula C19H26O2Si and a molecular weight of 314.50 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-hex-3-en-1,5-diynyl]cyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-hex-3-en-1,5-diynyl]cyclohexene-1-carbaldehyde
PubChem CID11012487
Molecular FormulaC19H26O2Si
Molecular Weight314.50 g/mol
Exact Mass314.17
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-hex-3-en-1,5-diynyl]cyclohexene-1-carbaldehyde
SMILESC#C/C=C\C#CC1(O[Si](C)(C)C(C)(C)C)CCC=C(C=O)C1
InChIInChI=1S/C19H26O2Si/c1-7-8-9-10-13-19(14-11-12-17(15-19)16-20)21-22(5,6)18(2,3)4/h1,8-9,12,16H,11,14-15H2,2-6H3/b9-8-
InChIKeyROQGFDWNHQABTO-HJWRWDBZSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 54.25
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-hex-3-en-1,5-diynyl]cyclohexene-1-carbaldehyde?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-hex-3-en-1,5-diynyl]cyclohexene-1-carbaldehyde (CID 11012487) is 5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-hex-3-en-1,5-diynyl]cyclohexene-1-carbaldehyde.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-hex-3-en-1,5-diynyl]cyclohexene-1-carbaldehyde?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-hex-3-en-1,5-diynyl]cyclohexene-1-carbaldehyde is C#C/C=C\C#CC1(O[Si](C)(C)C(C)(C)C)CCC=C(C=O)C1.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-hex-3-en-1,5-diynyl]cyclohexene-1-carbaldehyde?
The InChIKey is ROQGFDWNHQABTO-HJWRWDBZSA-N. The full InChI is InChI=1S/C19H26O2Si/c1-7-8-9-10-13-19(14-11-12-17(15-19)16-20)21-22(5,6)18(2,3)4/h1,8-9,12,16H,11,14-15H2,2-6H3/b9-8-.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-hex-3-en-1,5-diynyl]cyclohexene-1-carbaldehyde?
5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-hex-3-en-1,5-diynyl]cyclohexene-1-carbaldehyde has a molecular weight of 314.50 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-hex-3-en-1,5-diynyl]cyclohexene-1-carbaldehyde is sourced from PubChem (CID 11012487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).