butyl 2-methylprop-2-enoate;2,2-dimethyloxasilinane

C14H28O3Si — CID 23091826

IUPACbutyl 2-methylprop-2-enoate;2,2-dimethyloxasilinane
SMILESC=C(C)C(=O)OCCCC.C[Si]1(C)CCCCO1
InChIInChI=1S/C8H14O2.C6H14OSi/c1-4-5-6-10-8(9)7(2)3;1-8(2)6-4-3-5-7-8/h2,4-6H2,1,3H3;3-6H2,1-2H3
InChIKeyWHFOQCVOLTTZDS-UHFFFAOYSA-N
MW272.46 g/mol
LogP3.91
Rot. Bonds4

About butyl 2-methylprop-2-enoate;2,2-dimethyloxasilinane

butyl 2-methylprop-2-enoate;2,2-dimethyloxasilinane (PubChem CID 23091826) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is butyl 2-methylprop-2-enoate;2,2-dimethyloxasilinane.

Molecular Properties

Compound Namebutyl 2-methylprop-2-enoate;2,2-dimethyloxasilinane
PubChem CID23091826
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Namebutyl 2-methylprop-2-enoate;2,2-dimethyloxasilinane
SMILESC=C(C)C(=O)OCCCC.C[Si]1(C)CCCCO1
InChIInChI=1S/C8H14O2.C6H14OSi/c1-4-5-6-10-8(9)7(2)3;1-8(2)6-4-3-5-7-8/h2,4-6H2,1,3H3;3-6H2,1-2H3
InChIKeyWHFOQCVOLTTZDS-UHFFFAOYSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate
CID 19882000
butyl 2-methylprop-2-enoate;methane
CID 159646333
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670
butyl 2-methylprop-2-enoate;ethene
CID 158758814
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
butyl 2-methylprop-2-enoate;cyclohexanone
CID 67714172
methane;nonyl 2-methylprop-2-enoate
CID 174847930
butyl 2-methylprop-2-enoate;carbamic acid
CID 174813698
methane;tridecyl 2-methylprop-2-enoate
CID 174863529

Frequently Asked Questions

What is the IUPAC name of butyl 2-methylprop-2-enoate;2,2-dimethyloxasilinane?
The IUPAC name of butyl 2-methylprop-2-enoate;2,2-dimethyloxasilinane (CID 23091826) is butyl 2-methylprop-2-enoate;2,2-dimethyloxasilinane.
What is the SMILES notation for butyl 2-methylprop-2-enoate;2,2-dimethyloxasilinane?
The canonical SMILES for butyl 2-methylprop-2-enoate;2,2-dimethyloxasilinane is C=C(C)C(=O)OCCCC.C[Si]1(C)CCCCO1.
What is the InChIKey of butyl 2-methylprop-2-enoate;2,2-dimethyloxasilinane?
The InChIKey is WHFOQCVOLTTZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C6H14OSi/c1-4-5-6-10-8(9)7(2)3;1-8(2)6-4-3-5-7-8/h2,4-6H2,1,3H3;3-6H2,1-2H3.
What are the key properties of butyl 2-methylprop-2-enoate;2,2-dimethyloxasilinane?
butyl 2-methylprop-2-enoate;2,2-dimethyloxasilinane has a molecular weight of 272.46 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-methylprop-2-enoate;2,2-dimethyloxasilinane is sourced from PubChem (CID 23091826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).