(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylpent-4-enal

C14H28O2Si — CID 134992905

IUPAC(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylpent-4-enal
SMILESC=C[C@H](C(C)C)[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-9-12(11(2)3)13(10-15)16-17(7,8)14(4,5)6/h9-13H,1H2,2-8H3/t12-,13+/m1/s1
InChIKeyMXWMLHRHMSBBIP-OLZOCXBDSA-N
MW256.46 g/mol
LogP4.03
Rot. Bonds6

About (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylpent-4-enal

(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylpent-4-enal (PubChem CID 134992905) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylpent-4-enal.

Molecular Properties

Compound Name(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylpent-4-enal
PubChem CID134992905
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylpent-4-enal
SMILESC=C[C@H](C(C)C)[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-9-12(11(2)3)13(10-15)16-17(7,8)14(4,5)6/h9-13H,1H2,2-8H3/t12-,13+/m1/s1
InChIKeyMXWMLHRHMSBBIP-OLZOCXBDSA-N
XLogP4.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.03
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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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-ethenylheptanal
CID 134992611
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enal
CID 10977251
(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-enal
CID 102111757
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal
CID 134930661
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-propan-2-ylpent-4-enal
CID 134930856
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-3-methylpent-4-enal
CID 134931030
(2R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-enal
CID 134967854
(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-methylhexanal
CID 134993133
(2R,3R)-3-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enal
CID 134993139
(2S,3R)-2-methyl-3-triethylsilyloxyhex-5-enal
CID 135041296

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylpent-4-enal?
The IUPAC name of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylpent-4-enal (CID 134992905) is (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylpent-4-enal.
What is the SMILES notation for (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylpent-4-enal?
The canonical SMILES for (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylpent-4-enal is C=C[C@H](C(C)C)[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-propan-2-ylpent-4-enal?
The InChIKey is MXWMLHRHMSBBIP-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-9-12(11(2)3)13(10-15)16-17(7,8)14(4,5)6/h9-13H,1H2,2-8H3/t12-,13+/m1/s1.
What are the key properties of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylpent-4-enal?
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylpent-4-enal has a molecular weight of 256.46 g/mol, XLogP of 4.03, 6 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-propan-2-ylpent-4-enal is sourced from PubChem (CID 134992905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).