(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-prop-2-enylpent-3-enal

C15H28O2Si — CID 138969756

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-prop-2-enylpent-3-enal
SMILESC=CC[C@@](C=O)(C=C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-9-10-15(12-16,11-13(2)3)17-18(7,8)14(4,5)6/h9,11-12H,1,10H2,2-8H3/t15-/m0/s1
InChIKeyWDLATBPAWAFDOP-HNNXBMFYSA-N
MW268.47 g/mol
LogP4.49
Rot. Bonds6

About (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-prop-2-enylpent-3-enal

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-prop-2-enylpent-3-enal (PubChem CID 138969756) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-prop-2-enylpent-3-enal.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-prop-2-enylpent-3-enal
PubChem CID138969756
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-prop-2-enylpent-3-enal
SMILESC=CC[C@@](C=O)(C=C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-9-10-15(12-16,11-13(2)3)17-18(7,8)14(4,5)6/h9,11-12H,1,10H2,2-8H3/t15-/m0/s1
InChIKeyWDLATBPAWAFDOP-HNNXBMFYSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.49
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'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-prop-2-enylpent-3-enal?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-prop-2-enylpent-3-enal (CID 138969756) is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-prop-2-enylpent-3-enal.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-prop-2-enylpent-3-enal?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-prop-2-enylpent-3-enal is C=CC[C@@](C=O)(C=C(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-prop-2-enylpent-3-enal?
The InChIKey is WDLATBPAWAFDOP-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-9-10-15(12-16,11-13(2)3)17-18(7,8)14(4,5)6/h9,11-12H,1,10H2,2-8H3/t15-/m0/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-prop-2-enylpent-3-enal?
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-prop-2-enylpent-3-enal has a molecular weight of 268.47 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-prop-2-enylpent-3-enal is sourced from PubChem (CID 138969756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).