(2Z)-2-tri(propan-2-yl)silyloxyhepta-2,6-dienal

C16H30O2Si — CID 135391399

IUPAC(2Z)-2-tri(propan-2-yl)silyloxyhepta-2,6-dienal
SMILESC=CCC/C=C(/C=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H30O2Si/c1-8-9-10-11-16(12-17)18-19(13(2)3,14(4)5)15(6)7/h8,11-15H,1,9-10H2,2-7H3/b16-11-
InChIKeyGNOGZVMYPGAYQN-WJDWOHSUSA-N
MW282.50 g/mol
LogP5.23
Rot. Bonds9

About (2Z)-2-tri(propan-2-yl)silyloxyhepta-2,6-dienal

(2Z)-2-tri(propan-2-yl)silyloxyhepta-2,6-dienal (PubChem CID 135391399) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is (2Z)-2-tri(propan-2-yl)silyloxyhepta-2,6-dienal.

Molecular Properties

Compound Name(2Z)-2-tri(propan-2-yl)silyloxyhepta-2,6-dienal
PubChem CID135391399
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name(2Z)-2-tri(propan-2-yl)silyloxyhepta-2,6-dienal
SMILESC=CCC/C=C(/C=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H30O2Si/c1-8-9-10-11-16(12-17)18-19(13(2)3,14(4)5)15(6)7/h8,11-15H,1,9-10H2,2-7H3/b16-11-
InChIKeyGNOGZVMYPGAYQN-WJDWOHSUSA-N
XLogP5.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.50
LogP ≤ 55.23
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-tri(propan-2-yl)silyloxyhepta-2,6-dienal?
The IUPAC name of (2Z)-2-tri(propan-2-yl)silyloxyhepta-2,6-dienal (CID 135391399) is (2Z)-2-tri(propan-2-yl)silyloxyhepta-2,6-dienal.
What is the SMILES notation for (2Z)-2-tri(propan-2-yl)silyloxyhepta-2,6-dienal?
The canonical SMILES for (2Z)-2-tri(propan-2-yl)silyloxyhepta-2,6-dienal is C=CCC/C=C(/C=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2Z)-2-tri(propan-2-yl)silyloxyhepta-2,6-dienal?
The InChIKey is GNOGZVMYPGAYQN-WJDWOHSUSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-8-9-10-11-16(12-17)18-19(13(2)3,14(4)5)15(6)7/h8,11-15H,1,9-10H2,2-7H3/b16-11-.
What are the key properties of (2Z)-2-tri(propan-2-yl)silyloxyhepta-2,6-dienal?
(2Z)-2-tri(propan-2-yl)silyloxyhepta-2,6-dienal has a molecular weight of 282.50 g/mol, XLogP of 5.23, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-tri(propan-2-yl)silyloxyhepta-2,6-dienal is sourced from PubChem (CID 135391399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).