(2Z)-2-[diethyl(propan-2-yl)silyl]oxyhepta-2,6-dienal

C14H26O2Si — CID 135391351

IUPAC(2Z)-2-[diethyl(propan-2-yl)silyl]oxyhepta-2,6-dienal
SMILESC=CCC/C=C(/C=O)O[Si](CC)(CC)C(C)C
InChIInChI=1S/C14H26O2Si/c1-6-9-10-11-14(12-15)16-17(7-2,8-3)13(4)5/h6,11-13H,1,7-10H2,2-5H3/b14-11-
InChIKeyXEOVTVGVFYSYPD-KAMYIIQDSA-N
MW254.45 g/mol
LogP4.45
Rot. Bonds9

About (2Z)-2-[diethyl(propan-2-yl)silyl]oxyhepta-2,6-dienal

(2Z)-2-[diethyl(propan-2-yl)silyl]oxyhepta-2,6-dienal (PubChem CID 135391351) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is (2Z)-2-[diethyl(propan-2-yl)silyl]oxyhepta-2,6-dienal.

Molecular Properties

Compound Name(2Z)-2-[diethyl(propan-2-yl)silyl]oxyhepta-2,6-dienal
PubChem CID135391351
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name(2Z)-2-[diethyl(propan-2-yl)silyl]oxyhepta-2,6-dienal
SMILESC=CCC/C=C(/C=O)O[Si](CC)(CC)C(C)C
InChIInChI=1S/C14H26O2Si/c1-6-9-10-11-14(12-15)16-17(7-2,8-3)13(4)5/h6,11-13H,1,7-10H2,2-5H3/b14-11-
InChIKeyXEOVTVGVFYSYPD-KAMYIIQDSA-N
XLogP4.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[diethyl(propan-2-yl)silyl]oxyhepta-2,6-dienal?
The IUPAC name of (2Z)-2-[diethyl(propan-2-yl)silyl]oxyhepta-2,6-dienal (CID 135391351) is (2Z)-2-[diethyl(propan-2-yl)silyl]oxyhepta-2,6-dienal.
What is the SMILES notation for (2Z)-2-[diethyl(propan-2-yl)silyl]oxyhepta-2,6-dienal?
The canonical SMILES for (2Z)-2-[diethyl(propan-2-yl)silyl]oxyhepta-2,6-dienal is C=CCC/C=C(/C=O)O[Si](CC)(CC)C(C)C.
What is the InChIKey of (2Z)-2-[diethyl(propan-2-yl)silyl]oxyhepta-2,6-dienal?
The InChIKey is XEOVTVGVFYSYPD-KAMYIIQDSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-6-9-10-11-14(12-15)16-17(7-2,8-3)13(4)5/h6,11-13H,1,7-10H2,2-5H3/b14-11-.
What are the key properties of (2Z)-2-[diethyl(propan-2-yl)silyl]oxyhepta-2,6-dienal?
(2Z)-2-[diethyl(propan-2-yl)silyl]oxyhepta-2,6-dienal has a molecular weight of 254.45 g/mol, XLogP of 4.45, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[diethyl(propan-2-yl)silyl]oxyhepta-2,6-dienal is sourced from PubChem (CID 135391351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).