ethyl 2-[dimethyl(propan-2-yloxy)silyl]pent-4-enoate

C12H24O3Si — CID 10955806

IUPACethyl 2-[dimethyl(propan-2-yloxy)silyl]pent-4-enoate
SMILESC=CCC(C(=O)OCC)[Si](C)(C)OC(C)C
InChIInChI=1S/C12H24O3Si/c1-7-9-11(12(13)14-8-2)16(5,6)15-10(3)4/h7,10-11H,1,8-9H2,2-6H3
InChIKeyAODUWOGRVHPUCL-UHFFFAOYSA-N
MW244.41 g/mol
LogP3.13
Rot. Bonds7

About ethyl 2-[dimethyl(propan-2-yloxy)silyl]pent-4-enoate

ethyl 2-[dimethyl(propan-2-yloxy)silyl]pent-4-enoate (PubChem CID 10955806) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is ethyl 2-[dimethyl(propan-2-yloxy)silyl]pent-4-enoate.

Molecular Properties

Compound Nameethyl 2-[dimethyl(propan-2-yloxy)silyl]pent-4-enoate
PubChem CID10955806
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Nameethyl 2-[dimethyl(propan-2-yloxy)silyl]pent-4-enoate
SMILESC=CCC(C(=O)OCC)[Si](C)(C)OC(C)C
InChIInChI=1S/C12H24O3Si/c1-7-9-11(12(13)14-8-2)16(5,6)15-10(3)4/h7,10-11H,1,8-9H2,2-6H3
InChIKeyAODUWOGRVHPUCL-UHFFFAOYSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 3-(trimethylsilyl)-4-pentenoate
CID 3385579
Tri(propan-2-yl)silyl pent-4-enoate
CID 10735566
tert-butyl (3R)-3-trimethylsilyloxypent-4-enoate
CID 138971087
4-Trimethylsilylhex-5-en-2-yl acetate
CID 12865712
[(Z)-5-methoxy-1-triethylsilylpent-1-en-3-yl] acetate
CID 134964945
[(3S)-1-trimethylsilylhept-6-en-1-yn-3-yl] acetate
CID 135023701
[(Z)-1-trimethylsilylpent-1-en-3-yl] acetate
CID 135049407
ethyl (Z)-5-[dimethoxy(methyl)silyl]-2-methylpent-4-enoate
CID 135075742
[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] butanoate
CID 154709335
3-(Trimethylsilyl)-4-pentenoic acid ethyl ester
CID 14214593
[(3R)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl] but-3-enoate
CID 56925503
tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 11150361

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[dimethyl(propan-2-yloxy)silyl]pent-4-enoate?
The IUPAC name of ethyl 2-[dimethyl(propan-2-yloxy)silyl]pent-4-enoate (CID 10955806) is ethyl 2-[dimethyl(propan-2-yloxy)silyl]pent-4-enoate.
What is the SMILES notation for ethyl 2-[dimethyl(propan-2-yloxy)silyl]pent-4-enoate?
The canonical SMILES for ethyl 2-[dimethyl(propan-2-yloxy)silyl]pent-4-enoate is C=CCC(C(=O)OCC)[Si](C)(C)OC(C)C.
What is the InChIKey of ethyl 2-[dimethyl(propan-2-yloxy)silyl]pent-4-enoate?
The InChIKey is AODUWOGRVHPUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-7-9-11(12(13)14-8-2)16(5,6)15-10(3)4/h7,10-11H,1,8-9H2,2-6H3.
What are the key properties of ethyl 2-[dimethyl(propan-2-yloxy)silyl]pent-4-enoate?
ethyl 2-[dimethyl(propan-2-yloxy)silyl]pent-4-enoate has a molecular weight of 244.41 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[dimethyl(propan-2-yloxy)silyl]pent-4-enoate is sourced from PubChem (CID 10955806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).