(Z)-2-[tert-butyl(dimethyl)silyl]oxyhept-2-enal

C13H26O2Si — CID 11218732

IUPAC(Z)-2-[tert-butyl(dimethyl)silyl]oxyhept-2-enal
SMILESCCCC/C=C(/C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-7-8-9-10-12(11-14)15-16(5,6)13(2,3)4/h10-11H,7-9H2,1-6H3/b12-10-
InChIKeyBIQUCRBJCPZOHA-BENRWUELSA-N
MW242.43 g/mol
LogP4.28
Rot. Bonds6

About (Z)-2-[tert-butyl(dimethyl)silyl]oxyhept-2-enal

(Z)-2-[tert-butyl(dimethyl)silyl]oxyhept-2-enal (PubChem CID 11218732) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is (Z)-2-[tert-butyl(dimethyl)silyl]oxyhept-2-enal.

Molecular Properties

Compound Name(Z)-2-[tert-butyl(dimethyl)silyl]oxyhept-2-enal
PubChem CID11218732
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name(Z)-2-[tert-butyl(dimethyl)silyl]oxyhept-2-enal
SMILESCCCC/C=C(/C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-7-8-9-10-12(11-14)15-16(5,6)13(2,3)4/h10-11H,7-9H2,1-6H3/b12-10-
InChIKeyBIQUCRBJCPZOHA-BENRWUELSA-N
XLogP4.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 54.28
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[tert-butyl(dimethyl)silyl]oxyhept-2-enal?
The IUPAC name of (Z)-2-[tert-butyl(dimethyl)silyl]oxyhept-2-enal (CID 11218732) is (Z)-2-[tert-butyl(dimethyl)silyl]oxyhept-2-enal.
What is the SMILES notation for (Z)-2-[tert-butyl(dimethyl)silyl]oxyhept-2-enal?
The canonical SMILES for (Z)-2-[tert-butyl(dimethyl)silyl]oxyhept-2-enal is CCCC/C=C(/C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z)-2-[tert-butyl(dimethyl)silyl]oxyhept-2-enal?
The InChIKey is BIQUCRBJCPZOHA-BENRWUELSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-7-8-9-10-12(11-14)15-16(5,6)13(2,3)4/h10-11H,7-9H2,1-6H3/b12-10-.
What are the key properties of (Z)-2-[tert-butyl(dimethyl)silyl]oxyhept-2-enal?
(Z)-2-[tert-butyl(dimethyl)silyl]oxyhept-2-enal has a molecular weight of 242.43 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[tert-butyl(dimethyl)silyl]oxyhept-2-enal is sourced from PubChem (CID 11218732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).