(2S)-2-(2-methylbut-3-en-2-yl)-2-trimethylsilyloxyhexanal

C14H28O2Si — CID 102476902

IUPAC(2S)-2-(2-methylbut-3-en-2-yl)-2-trimethylsilyloxyhexanal
SMILESC=CC(C)(C)[C@](C=O)(CCCC)O[Si](C)(C)C
InChIInChI=1S/C14H28O2Si/c1-8-10-11-14(12-15,13(3,4)9-2)16-17(5,6)7/h9,12H,2,8,10-11H2,1,3-7H3/t14-/m1/s1
InChIKeyGKVXODYFQKUAMQ-CQSZACIVSA-N
MW256.46 g/mol
LogP4.18
Rot. Bonds8

About (2S)-2-(2-methylbut-3-en-2-yl)-2-trimethylsilyloxyhexanal

(2S)-2-(2-methylbut-3-en-2-yl)-2-trimethylsilyloxyhexanal (PubChem CID 102476902) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is (2S)-2-(2-methylbut-3-en-2-yl)-2-trimethylsilyloxyhexanal.

Molecular Properties

Compound Name(2S)-2-(2-methylbut-3-en-2-yl)-2-trimethylsilyloxyhexanal
PubChem CID102476902
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name(2S)-2-(2-methylbut-3-en-2-yl)-2-trimethylsilyloxyhexanal
SMILESC=CC(C)(C)[C@](C=O)(CCCC)O[Si](C)(C)C
InChIInChI=1S/C14H28O2Si/c1-8-10-11-14(12-15,13(3,4)9-2)16-17(5,6)7/h9,12H,2,8,10-11H2,1,3-7H3/t14-/m1/s1
InChIKeyGKVXODYFQKUAMQ-CQSZACIVSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.18
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-(2-methylbut-3-en-2-yl)-2-trimethylsilyloxyhexanal?
The IUPAC name of (2S)-2-(2-methylbut-3-en-2-yl)-2-trimethylsilyloxyhexanal (CID 102476902) is (2S)-2-(2-methylbut-3-en-2-yl)-2-trimethylsilyloxyhexanal.
What is the SMILES notation for (2S)-2-(2-methylbut-3-en-2-yl)-2-trimethylsilyloxyhexanal?
The canonical SMILES for (2S)-2-(2-methylbut-3-en-2-yl)-2-trimethylsilyloxyhexanal is C=CC(C)(C)[C@](C=O)(CCCC)O[Si](C)(C)C.
What is the InChIKey of (2S)-2-(2-methylbut-3-en-2-yl)-2-trimethylsilyloxyhexanal?
The InChIKey is GKVXODYFQKUAMQ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-8-10-11-14(12-15,13(3,4)9-2)16-17(5,6)7/h9,12H,2,8,10-11H2,1,3-7H3/t14-/m1/s1.
What are the key properties of (2S)-2-(2-methylbut-3-en-2-yl)-2-trimethylsilyloxyhexanal?
(2S)-2-(2-methylbut-3-en-2-yl)-2-trimethylsilyloxyhexanal has a molecular weight of 256.46 g/mol, XLogP of 4.18, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylbut-3-en-2-yl)-2-trimethylsilyloxyhexanal is sourced from PubChem (CID 102476902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).