(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylheptanal

C15H30O2Si — CID 134992611

IUPAC(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylheptanal
SMILESC=C[C@H](CCCC)[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-8-10-11-13(9-2)14(12-16)17-18(6,7)15(3,4)5/h9,12-14H,2,8,10-11H2,1,3-7H3/t13-,14+/m1/s1
InChIKeyVUXNWESTSWKPKL-KGLIPLIRSA-N
MW270.49 g/mol
LogP4.57
Rot. Bonds8

About (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylheptanal

(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylheptanal (PubChem CID 134992611) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylheptanal.

Molecular Properties

Compound Name(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylheptanal
PubChem CID134992611
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylheptanal
SMILESC=C[C@H](CCCC)[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-8-10-11-13(9-2)14(12-16)17-18(6,7)15(3,4)5/h9,12-14H,2,8,10-11H2,1,3-7H3/t13-,14+/m1/s1
InChIKeyVUXNWESTSWKPKL-KGLIPLIRSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.57
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylheptanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethylpent-4-enal
CID 134931119
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylpent-4-enal
CID 134992905
(2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-enal
CID 24884888
(3R)-3-methyl-5-triethylsilyloxyhept-6-enal
CID 25112422
(2S,3R)-2-methyl-3-triethylsilyloxyoct-7-enal
CID 134854809
2-[Tert-butyl(dimethyl)silyl]oxy-2-cyclohex-2-en-1-yl-2-methoxyacetaldehyde
CID 134923079
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal
CID 134930661
(2R,3R)-3-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxypent-4-enal
CID 134992612
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylheptanal
CID 134992698
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylhexanal
CID 134993133
2-[Tert-butyl(dimethyl)silyl]oxyhept-6-enal
CID 135036802
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-enal
CID 146161663

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylheptanal?
The IUPAC name of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylheptanal (CID 134992611) is (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylheptanal.
What is the SMILES notation for (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylheptanal?
The canonical SMILES for (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylheptanal is C=C[C@H](CCCC)[C@H](C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylheptanal?
The InChIKey is VUXNWESTSWKPKL-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-8-10-11-13(9-2)14(12-16)17-18(6,7)15(3,4)5/h9,12-14H,2,8,10-11H2,1,3-7H3/t13-,14+/m1/s1.
What are the key properties of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylheptanal?
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylheptanal has a molecular weight of 270.49 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylheptanal is sourced from PubChem (CID 134992611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).