(2S)-2-methyl-2-[(E,2S)-4-tri(propan-2-yl)silyloxybut-3-en-2-yl]hexanal

C20H40O2Si — CID 101267950

IUPAC(2S)-2-methyl-2-[(E,2S)-4-tri(propan-2-yl)silyloxybut-3-en-2-yl]hexanal
SMILESCCCC[C@](C)(C=O)[C@@H](C)/C=C/O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H40O2Si/c1-10-11-13-20(9,15-21)19(8)12-14-22-23(16(2)3,17(4)5)18(6)7/h12,14-19H,10-11,13H2,1-9H3/b14-12+/t19-,20+/m0/s1
InChIKeyFNYODPHXTXRUKD-NJDMILDMSA-N
MW340.62 g/mol
LogP6.72
Rot. Bonds11

About (2S)-2-methyl-2-[(E,2S)-4-tri(propan-2-yl)silyloxybut-3-en-2-yl]hexanal

(2S)-2-methyl-2-[(E,2S)-4-tri(propan-2-yl)silyloxybut-3-en-2-yl]hexanal (PubChem CID 101267950) has the molecular formula C20H40O2Si and a molecular weight of 340.62 g/mol. Its IUPAC name is (2S)-2-methyl-2-[(E,2S)-4-tri(propan-2-yl)silyloxybut-3-en-2-yl]hexanal.

Molecular Properties

Compound Name(2S)-2-methyl-2-[(E,2S)-4-tri(propan-2-yl)silyloxybut-3-en-2-yl]hexanal
PubChem CID101267950
Molecular FormulaC20H40O2Si
Molecular Weight340.62 g/mol
Exact Mass340.28
IUPAC Name(2S)-2-methyl-2-[(E,2S)-4-tri(propan-2-yl)silyloxybut-3-en-2-yl]hexanal
SMILESCCCC[C@](C)(C=O)[C@@H](C)/C=C/O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H40O2Si/c1-10-11-13-20(9,15-21)19(8)12-14-22-23(16(2)3,17(4)5)18(6)7/h12,14-19H,10-11,13H2,1-9H3/b14-12+/t19-,20+/m0/s1
InChIKeyFNYODPHXTXRUKD-NJDMILDMSA-N
XLogP6.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.62
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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2,2-dibutylpropanedial
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2-methyl-2-sulfanylhexanal
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(2R)-2-amino-2-methylhexanal
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2-butyl-2-methoxypropanedial
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2,6,6-trimethyldecanal
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2-(cyclopropylmethyl)-2-methylhexanal
CID 141352242

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2-[(E,2S)-4-tri(propan-2-yl)silyloxybut-3-en-2-yl]hexanal?
The IUPAC name of (2S)-2-methyl-2-[(E,2S)-4-tri(propan-2-yl)silyloxybut-3-en-2-yl]hexanal (CID 101267950) is (2S)-2-methyl-2-[(E,2S)-4-tri(propan-2-yl)silyloxybut-3-en-2-yl]hexanal.
What is the SMILES notation for (2S)-2-methyl-2-[(E,2S)-4-tri(propan-2-yl)silyloxybut-3-en-2-yl]hexanal?
The canonical SMILES for (2S)-2-methyl-2-[(E,2S)-4-tri(propan-2-yl)silyloxybut-3-en-2-yl]hexanal is CCCC[C@](C)(C=O)[C@@H](C)/C=C/O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2S)-2-methyl-2-[(E,2S)-4-tri(propan-2-yl)silyloxybut-3-en-2-yl]hexanal?
The InChIKey is FNYODPHXTXRUKD-NJDMILDMSA-N. The full InChI is InChI=1S/C20H40O2Si/c1-10-11-13-20(9,15-21)19(8)12-14-22-23(16(2)3,17(4)5)18(6)7/h12,14-19H,10-11,13H2,1-9H3/b14-12+/t19-,20+/m0/s1.
What are the key properties of (2S)-2-methyl-2-[(E,2S)-4-tri(propan-2-yl)silyloxybut-3-en-2-yl]hexanal?
(2S)-2-methyl-2-[(E,2S)-4-tri(propan-2-yl)silyloxybut-3-en-2-yl]hexanal has a molecular weight of 340.62 g/mol, XLogP of 6.72, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2-[(E,2S)-4-tri(propan-2-yl)silyloxybut-3-en-2-yl]hexanal is sourced from PubChem (CID 101267950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).