silyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate

C8H16O4Si — CID 175251380

IUPACsilyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate
SMILESCOC(OC)C(C)=C(C)C(=O)O[SiH3]
InChIInChI=1S/C8H16O4Si/c1-5(7(9)12-13)6(2)8(10-3)11-4/h8H,1-4,13H3
InChIKeyUBRUVVNUCIDOTK-UHFFFAOYSA-N
MW204.30 g/mol
LogP-0.23
Rot. Bonds4

About silyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate

silyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate (PubChem CID 175251380) has the molecular formula C8H16O4Si and a molecular weight of 204.30 g/mol. Its IUPAC name is silyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate.

Molecular Properties

Compound Namesilyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate
PubChem CID175251380
Molecular FormulaC8H16O4Si
Molecular Weight204.30 g/mol
Exact Mass204.08
IUPAC Namesilyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate
SMILESCOC(OC)C(C)=C(C)C(=O)O[SiH3]
InChIInChI=1S/C8H16O4Si/c1-5(7(9)12-13)6(2)8(10-3)11-4/h8H,1-4,13H3
InChIKeyUBRUVVNUCIDOTK-UHFFFAOYSA-N
XLogP-0.23
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate
CID 131855889
methyl (E)-2,3,4-trimethylpent-2-enoate
CID 122645067
silyl 3-methoxy-2-methylprop-2-enoate
CID 123873390
1,1-dibromo-3,3-dimethoxypropan-2-one
CID 87703915
butane-2,3-dione;silyloxysilane
CID 173372168
dimethyl 2,3,4,5-tetramethylhexa-2,4-dienedioate
CID 131887550
1,1-dimethoxypropane-2-thione
CID 87220026
methyl 5,5-dimethoxy-3-methyl-2,4-dioxopentanoate
CID 115353614
5-methoxy-3,4-dimethylhept-3-en-2-one
CID 91349574
silyl 2-hydroxyprop-2-enoate
CID 174411527
ethaneperoxoic acid;methoxymethane
CID 87834215
2,2-bis(2-methylprop-2-enoyloxy)acetic acid
CID 56621773

Frequently Asked Questions

What is the IUPAC name of silyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate?
The IUPAC name of silyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate (CID 175251380) is silyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate.
What is the SMILES notation for silyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate?
The canonical SMILES for silyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate is COC(OC)C(C)=C(C)C(=O)O[SiH3].
What is the InChIKey of silyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate?
The InChIKey is UBRUVVNUCIDOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4Si/c1-5(7(9)12-13)6(2)8(10-3)11-4/h8H,1-4,13H3.
What are the key properties of silyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate?
silyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate has a molecular weight of 204.30 g/mol, XLogP of -0.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for silyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate is sourced from PubChem (CID 175251380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).