ethyl (Z)-2-(oxan-2-yl)-3-tri(propan-2-yl)silylprop-2-enoate

C19H36O3Si — CID 138983944

IUPACethyl (Z)-2-(oxan-2-yl)-3-tri(propan-2-yl)silylprop-2-enoate
SMILESCCOC(=O)/C(=C\[Si](C(C)C)(C(C)C)C(C)C)C1CCCCO1
InChIInChI=1S/C19H36O3Si/c1-8-21-19(20)17(18-11-9-10-12-22-18)13-23(14(2)3,15(4)5)16(6)7/h13-16,18H,8-12H2,1-7H3/b17-13-
InChIKeySRDYNJVQICGLDB-LGMDPLHJSA-N
MW340.58 g/mol
LogP5.26
Rot. Bonds7

About ethyl (Z)-2-(oxan-2-yl)-3-tri(propan-2-yl)silylprop-2-enoate

ethyl (Z)-2-(oxan-2-yl)-3-tri(propan-2-yl)silylprop-2-enoate (PubChem CID 138983944) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is ethyl (Z)-2-(oxan-2-yl)-3-tri(propan-2-yl)silylprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-(oxan-2-yl)-3-tri(propan-2-yl)silylprop-2-enoate
PubChem CID138983944
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Nameethyl (Z)-2-(oxan-2-yl)-3-tri(propan-2-yl)silylprop-2-enoate
SMILESCCOC(=O)/C(=C\[Si](C(C)C)(C(C)C)C(C)C)C1CCCCO1
InChIInChI=1S/C19H36O3Si/c1-8-21-19(20)17(18-11-9-10-12-22-18)13-23(14(2)3,15(4)5)16(6)7/h13-16,18H,8-12H2,1-7H3/b17-13-
InChIKeySRDYNJVQICGLDB-LGMDPLHJSA-N
XLogP5.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 55.26
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

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CID 129728387
(z)-3-(Tetrahydrofuran-2-yl)-4-(triisopropylsilyl)but-3-en-2-one
CID 138983937
Ethyl (z)-2-(tetrahydrofuran-2-yl)-3-(triisopropylsilyl)acrylate
CID 138985139
(z)-2-(Tetrahydrofuran-2-yl)-1-(triisopropylsilyl)tetradec-1-en-3-one
CID 171037561
15-Isopropenyl-3-(trimethylsilyl)oxacyclopentadecan-2-one
CID 552374
triethyl (E)-6-trimethylsilylhex-5-ene-1,1,5-tricarboxylate
CID 10317194
diethyl (2E,7E)-2,7-bis(trimethylsilylmethylidene)octanedioate
CID 10431005
Ethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carboxylate
CID 11044306
Methyl 2-[2-[3-hydroxypropyl(dimethyl)silyl]oxan-2-yl]prop-2-enoate
CID 67215197
Methyl 2-(oxan-2-yl)prop-2-enoate
CID 89810885
2-(2-Dimethylsilyloxan-2-yl)prop-2-enoic acid
CID 123268488
Methyl 2-(2-silyloxan-2-yl)prop-2-enoate
CID 123272322

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-(oxan-2-yl)-3-tri(propan-2-yl)silylprop-2-enoate?
The IUPAC name of ethyl (Z)-2-(oxan-2-yl)-3-tri(propan-2-yl)silylprop-2-enoate (CID 138983944) is ethyl (Z)-2-(oxan-2-yl)-3-tri(propan-2-yl)silylprop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-(oxan-2-yl)-3-tri(propan-2-yl)silylprop-2-enoate?
The canonical SMILES for ethyl (Z)-2-(oxan-2-yl)-3-tri(propan-2-yl)silylprop-2-enoate is CCOC(=O)/C(=C\[Si](C(C)C)(C(C)C)C(C)C)C1CCCCO1.
What is the InChIKey of ethyl (Z)-2-(oxan-2-yl)-3-tri(propan-2-yl)silylprop-2-enoate?
The InChIKey is SRDYNJVQICGLDB-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-8-21-19(20)17(18-11-9-10-12-22-18)13-23(14(2)3,15(4)5)16(6)7/h13-16,18H,8-12H2,1-7H3/b17-13-.
What are the key properties of ethyl (Z)-2-(oxan-2-yl)-3-tri(propan-2-yl)silylprop-2-enoate?
ethyl (Z)-2-(oxan-2-yl)-3-tri(propan-2-yl)silylprop-2-enoate has a molecular weight of 340.58 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-(oxan-2-yl)-3-tri(propan-2-yl)silylprop-2-enoate is sourced from PubChem (CID 138983944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).