hexyl 3-dimethylsilyl-2-methylprop-2-enoate

C12H24O2Si — CID 174714352

IUPAChexyl 3-dimethylsilyl-2-methylprop-2-enoate
SMILESCCCCCCOC(=O)C(C)=C[SiH](C)C
InChIInChI=1S/C12H24O2Si/c1-5-6-7-8-9-14-12(13)11(2)10-15(3)4/h10,15H,5-9H2,1-4H3
InChIKeyUUMXRYFXAWWUQO-UHFFFAOYSA-N
MW228.41 g/mol
LogP3.08
Rot. Bonds7

About hexyl 3-dimethylsilyl-2-methylprop-2-enoate

hexyl 3-dimethylsilyl-2-methylprop-2-enoate (PubChem CID 174714352) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is hexyl 3-dimethylsilyl-2-methylprop-2-enoate.

Molecular Properties

Compound Namehexyl 3-dimethylsilyl-2-methylprop-2-enoate
PubChem CID174714352
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Namehexyl 3-dimethylsilyl-2-methylprop-2-enoate
SMILESCCCCCCOC(=O)C(C)=C[SiH](C)C
InChIInChI=1S/C12H24O2Si/c1-5-6-7-8-9-14-12(13)11(2)10-15(3)4/h10,15H,5-9H2,1-4H3
InChIKeyUUMXRYFXAWWUQO-UHFFFAOYSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

octyl 3-di(propan-2-yl)silyl-2-methylprop-2-enoate
CID 174838789
undecyl (E)-2-methylbut-2-enoate
CID 91701896
heptyl 2-methylhexadec-2-enoate
CID 174820936
dodecyl 2-methylhenicos-2-enoate
CID 57172953
4-icosoxy-3-methyl-4-oxobut-2-enoic acid
CID 54033300
octyl (Z)-3-ethoxy-2-methylprop-2-enoate
CID 59895705
heptyl 2-methylundec-2-enoate
CID 174231744
icosyl 2-methyltricos-2-enoate
CID 90881383
nonyl 2-methylnon-2-enoate
CID 175301846
ditridecyl oxalate
CID 18377796
1-O-dodecyl 6-O-methyl (2E,4E)-2,5-dimethylhexa-2,4-dienedioate
CID 139804937
dioctyl 2,3-dimethylbut-2-enedioate
CID 173381299

Frequently Asked Questions

What is the IUPAC name of hexyl 3-dimethylsilyl-2-methylprop-2-enoate?
The IUPAC name of hexyl 3-dimethylsilyl-2-methylprop-2-enoate (CID 174714352) is hexyl 3-dimethylsilyl-2-methylprop-2-enoate.
What is the SMILES notation for hexyl 3-dimethylsilyl-2-methylprop-2-enoate?
The canonical SMILES for hexyl 3-dimethylsilyl-2-methylprop-2-enoate is CCCCCCOC(=O)C(C)=C[SiH](C)C.
What is the InChIKey of hexyl 3-dimethylsilyl-2-methylprop-2-enoate?
The InChIKey is UUMXRYFXAWWUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-5-6-7-8-9-14-12(13)11(2)10-15(3)4/h10,15H,5-9H2,1-4H3.
What are the key properties of hexyl 3-dimethylsilyl-2-methylprop-2-enoate?
hexyl 3-dimethylsilyl-2-methylprop-2-enoate has a molecular weight of 228.41 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 3-dimethylsilyl-2-methylprop-2-enoate is sourced from PubChem (CID 174714352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).