ethyl (E,4S)-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]hex-2-enoate

C19H38O3Si — CID 101183701

IUPACethyl (E,4S)-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]hex-2-enoate
SMILESCCOC(=O)/C(C)=C/[C@H](CC)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H38O3Si/c1-10-18(12-17(9)19(20)21-11-2)13-22-23(14(3)4,15(5)6)16(7)8/h12,14-16,18H,10-11,13H2,1-9H3/b17-12+/t18-/m0/s1
InChIKeyBJYRVPKCOIXOKT-WQJNHMDYSA-N
MW342.60 g/mol
LogP5.71
Rot. Bonds10

About ethyl (E,4S)-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]hex-2-enoate

ethyl (E,4S)-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]hex-2-enoate (PubChem CID 101183701) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is ethyl (E,4S)-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]hex-2-enoate.

Molecular Properties

Compound Nameethyl (E,4S)-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]hex-2-enoate
PubChem CID101183701
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Nameethyl (E,4S)-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]hex-2-enoate
SMILESCCOC(=O)/C(C)=C/[C@H](CC)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H38O3Si/c1-10-18(12-17(9)19(20)21-11-2)13-22-23(14(3)4,15(5)6)16(7)8/h12,14-16,18H,10-11,13H2,1-9H3/b17-12+/t18-/m0/s1
InChIKeyBJYRVPKCOIXOKT-WQJNHMDYSA-N
XLogP5.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.60
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (4E,6E)-6-methyl-3-oxo-8-[tri(propan-2-yl)silyloxymethyl]deca-4,6-dienoate
CID 134924492
ethyl (Z,5R,8R)-5-hydroxy-6-methyl-3-oxo-8-[tri(propan-2-yl)silyloxymethyl]dec-6-enoate
CID 11846594
(Z,4R,7S)-4-hydroxy-5-methyl-7-[tri(propan-2-yl)silyloxymethyl]non-5-en-2-one
CID 101236073
ethyl (E)-2,4-dimethylhex-2-enoate
CID 12550546
ethyl (E,4R)-4-acetyloxy-2-methylpent-2-enoate
CID 10488247
ethyl (E,4S)-2,4-dimethyl-5-oxopent-2-enoate
CID 53392007
azane;ethyl 4-amino-2-methylhex-2-enoate
CID 173072927
[(2R)-2-methylbutyl] (Z)-2-methylbut-2-enoate
CID 92973620
ethyl (E)-4-(dimethylamino)-2,5-dimethylhex-2-enoate
CID 88573956
ethyl 2-methyl-4-(methylamino)hex-2-enoate
CID 173010838
ethyl 2,5-dimethyl-4-(methylamino)hex-2-enoate;hydrochloride
CID 138108121
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhept-3-en-2-one
CID 90948310

Frequently Asked Questions

What is the IUPAC name of ethyl (E,4S)-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]hex-2-enoate?
The IUPAC name of ethyl (E,4S)-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]hex-2-enoate (CID 101183701) is ethyl (E,4S)-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]hex-2-enoate.
What is the SMILES notation for ethyl (E,4S)-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]hex-2-enoate?
The canonical SMILES for ethyl (E,4S)-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]hex-2-enoate is CCOC(=O)/C(C)=C/[C@H](CC)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of ethyl (E,4S)-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]hex-2-enoate?
The InChIKey is BJYRVPKCOIXOKT-WQJNHMDYSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-10-18(12-17(9)19(20)21-11-2)13-22-23(14(3)4,15(5)6)16(7)8/h12,14-16,18H,10-11,13H2,1-9H3/b17-12+/t18-/m0/s1.
What are the key properties of ethyl (E,4S)-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]hex-2-enoate?
ethyl (E,4S)-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]hex-2-enoate has a molecular weight of 342.60 g/mol, XLogP of 5.71, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,4S)-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]hex-2-enoate is sourced from PubChem (CID 101183701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).