(2Z)-2-[tert-butyl(dimethyl)silyl]oxyhepta-2,6-dienal

C13H24O2Si — CID 135391333

IUPAC(2Z)-2-[tert-butyl(dimethyl)silyl]oxyhepta-2,6-dienal
SMILESC=CCC/C=C(/C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O2Si/c1-7-8-9-10-12(11-14)15-16(5,6)13(2,3)4/h7,10-11H,1,8-9H2,2-6H3/b12-10-
InChIKeySVRRGSJZXMHGQV-BENRWUELSA-N
MW240.42 g/mol
LogP4.06
Rot. Bonds6

About (2Z)-2-[tert-butyl(dimethyl)silyl]oxyhepta-2,6-dienal

(2Z)-2-[tert-butyl(dimethyl)silyl]oxyhepta-2,6-dienal (PubChem CID 135391333) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is (2Z)-2-[tert-butyl(dimethyl)silyl]oxyhepta-2,6-dienal.

Molecular Properties

Compound Name(2Z)-2-[tert-butyl(dimethyl)silyl]oxyhepta-2,6-dienal
PubChem CID135391333
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name(2Z)-2-[tert-butyl(dimethyl)silyl]oxyhepta-2,6-dienal
SMILESC=CCC/C=C(/C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O2Si/c1-7-8-9-10-12(11-14)15-16(5,6)13(2,3)4/h7,10-11H,1,8-9H2,2-6H3/b12-10-
InChIKeySVRRGSJZXMHGQV-BENRWUELSA-N
XLogP4.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 54.06
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-[tert-butyl(dimethyl)silyl]oxyhepta-2,6-dienal?
The IUPAC name of (2Z)-2-[tert-butyl(dimethyl)silyl]oxyhepta-2,6-dienal (CID 135391333) is (2Z)-2-[tert-butyl(dimethyl)silyl]oxyhepta-2,6-dienal.
What is the SMILES notation for (2Z)-2-[tert-butyl(dimethyl)silyl]oxyhepta-2,6-dienal?
The canonical SMILES for (2Z)-2-[tert-butyl(dimethyl)silyl]oxyhepta-2,6-dienal is C=CCC/C=C(/C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2Z)-2-[tert-butyl(dimethyl)silyl]oxyhepta-2,6-dienal?
The InChIKey is SVRRGSJZXMHGQV-BENRWUELSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-7-8-9-10-12(11-14)15-16(5,6)13(2,3)4/h7,10-11H,1,8-9H2,2-6H3/b12-10-.
What are the key properties of (2Z)-2-[tert-butyl(dimethyl)silyl]oxyhepta-2,6-dienal?
(2Z)-2-[tert-butyl(dimethyl)silyl]oxyhepta-2,6-dienal has a molecular weight of 240.42 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[tert-butyl(dimethyl)silyl]oxyhepta-2,6-dienal is sourced from PubChem (CID 135391333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).