butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;oxasilinane

C17H32O5Si — CID 173259605

IUPACbutyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;oxasilinane
SMILESC1CC[SiH2]OC1.C=C(C)C(=O)OC.C=C(C)C(=O)OCCCC
InChIInChI=1S/C8H14O2.C5H8O2.C4H10OSi/c1-4-5-6-10-8(9)7(2)3;1-4(2)5(6)7-3;1-2-4-6-5-3-1/h2,4-6H2,1,3H3;1H2,2-3H3;1-4,6H2
InChIKeyXYOXJXALWJEYRJ-UHFFFAOYSA-N
MW344.52 g/mol
LogP2.94
Rot. Bonds5

About butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;oxasilinane

butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;oxasilinane (PubChem CID 173259605) has the molecular formula C17H32O5Si and a molecular weight of 344.52 g/mol. Its IUPAC name is butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;oxasilinane.

Molecular Properties

Compound Namebutyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;oxasilinane
PubChem CID173259605
Molecular FormulaC17H32O5Si
Molecular Weight344.52 g/mol
Exact Mass344.20
IUPAC Namebutyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;oxasilinane
SMILESC1CC[SiH2]OC1.C=C(C)C(=O)OC.C=C(C)C(=O)OCCCC
InChIInChI=1S/C8H14O2.C5H8O2.C4H10OSi/c1-4-5-6-10-8(9)7(2)3;1-4(2)5(6)7-3;1-2-4-6-5-3-1/h2,4-6H2,1,3H3;1H2,2-3H3;1-4,6H2
InChIKeyXYOXJXALWJEYRJ-UHFFFAOYSA-N
XLogP2.94
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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butyl 2-methylprop-2-enoate;methane
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butyl 2-methylprop-2-enoate;ethene
CID 158758814
butyl 2-methylprop-2-enoate;2,2-dimethyloxasilinane
CID 23091826
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CID 87986759
butyl 2-methylprop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate
CID 88636576
butyl prop-2-enoate;methyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate
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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
octatetracontyl 2-methylprop-2-enoate
CID 141233444
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

Frequently Asked Questions

What is the IUPAC name of butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;oxasilinane?
The IUPAC name of butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;oxasilinane (CID 173259605) is butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;oxasilinane.
What is the SMILES notation for butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;oxasilinane?
The canonical SMILES for butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;oxasilinane is C1CC[SiH2]OC1.C=C(C)C(=O)OC.C=C(C)C(=O)OCCCC.
What is the InChIKey of butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;oxasilinane?
The InChIKey is XYOXJXALWJEYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C5H8O2.C4H10OSi/c1-4-5-6-10-8(9)7(2)3;1-4(2)5(6)7-3;1-2-4-6-5-3-1/h2,4-6H2,1,3H3;1H2,2-3H3;1-4,6H2.
What are the key properties of butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;oxasilinane?
butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;oxasilinane has a molecular weight of 344.52 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;oxasilinane is sourced from PubChem (CID 173259605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).