(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enal

C15H30O2Si — CID 11380224

IUPAC(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enal
SMILESCC(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C/C=O
InChIInChI=1S/C15H30O2Si/c1-12(2)14(13(3)10-9-11-16)17-18(7,8)15(4,5)6/h9-14H,1-8H3/b10-9+/t13-,14-/m0/s1
InChIKeyOFWOHSRMPHHJRY-KYXFNPKGSA-N
MW270.49 g/mol
LogP4.42
Rot. Bonds6

About (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enal

(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enal (PubChem CID 11380224) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enal.

Molecular Properties

Compound Name(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enal
PubChem CID11380224
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enal
SMILESCC(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C/C=O
InChIInChI=1S/C15H30O2Si/c1-12(2)14(13(3)10-9-11-16)17-18(7,8)15(4,5)6/h9-14H,1-8H3/b10-9+/t13-,14-/m0/s1
InChIKeyOFWOHSRMPHHJRY-KYXFNPKGSA-N
XLogP4.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.42
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enal?
The IUPAC name of (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enal (CID 11380224) is (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enal.
What is the SMILES notation for (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enal?
The canonical SMILES for (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enal is CC(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C/C=O.
What is the InChIKey of (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enal?
The InChIKey is OFWOHSRMPHHJRY-KYXFNPKGSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-12(2)14(13(3)10-9-11-16)17-18(7,8)15(4,5)6/h9-14H,1-8H3/b10-9+/t13-,14-/m0/s1.
What are the key properties of (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enal?
(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enal has a molecular weight of 270.49 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enal is sourced from PubChem (CID 11380224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).