butyl 2-methylprop-2-enoate;ethoxysilane;propyl 2-methylprop-2-enoate

C17H34O5Si — CID 175326271

IUPACbutyl 2-methylprop-2-enoate;ethoxysilane;propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC.C=C(C)C(=O)OCCCC.CCO[SiH3]
InChIInChI=1S/C8H14O2.C7H12O2.C2H8OSi/c1-4-5-6-10-8(9)7(2)3;1-4-5-9-7(8)6(2)3;1-2-3-4/h2,4-6H2,1,3H3;2,4-5H2,1,3H3;2H2,1,4H3
InChIKeyCOMITCBXNBHCAT-UHFFFAOYSA-N
MW346.54 g/mol
LogP2.72
Rot. Bonds8

About butyl 2-methylprop-2-enoate;ethoxysilane;propyl 2-methylprop-2-enoate

butyl 2-methylprop-2-enoate;ethoxysilane;propyl 2-methylprop-2-enoate (PubChem CID 175326271) has the molecular formula C17H34O5Si and a molecular weight of 346.54 g/mol. Its IUPAC name is butyl 2-methylprop-2-enoate;ethoxysilane;propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namebutyl 2-methylprop-2-enoate;ethoxysilane;propyl 2-methylprop-2-enoate
PubChem CID175326271
Molecular FormulaC17H34O5Si
Molecular Weight346.54 g/mol
Exact Mass346.22
IUPAC Namebutyl 2-methylprop-2-enoate;ethoxysilane;propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC.C=C(C)C(=O)OCCCC.CCO[SiH3]
InChIInChI=1S/C8H14O2.C7H12O2.C2H8OSi/c1-4-5-6-10-8(9)7(2)3;1-4-5-9-7(8)6(2)3;1-2-3-4/h2,4-6H2,1,3H3;2,4-5H2,1,3H3;2H2,1,4H3
InChIKeyCOMITCBXNBHCAT-UHFFFAOYSA-N
XLogP2.72
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 52.72
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

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;propyl 2-methylprop-2-enoate
CID 87150170
butyl 2-methylprop-2-enoate;carbamic acid
CID 174813698
butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate
CID 19882000
azane;propyl 2-methylprop-2-enoate
CID 172812841
butyl 2-methylprop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate
CID 88636576
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
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;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

Frequently Asked Questions

What is the IUPAC name of butyl 2-methylprop-2-enoate;ethoxysilane;propyl 2-methylprop-2-enoate?
The IUPAC name of butyl 2-methylprop-2-enoate;ethoxysilane;propyl 2-methylprop-2-enoate (CID 175326271) is butyl 2-methylprop-2-enoate;ethoxysilane;propyl 2-methylprop-2-enoate.
What is the SMILES notation for butyl 2-methylprop-2-enoate;ethoxysilane;propyl 2-methylprop-2-enoate?
The canonical SMILES for butyl 2-methylprop-2-enoate;ethoxysilane;propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC.C=C(C)C(=O)OCCCC.CCO[SiH3].
What is the InChIKey of butyl 2-methylprop-2-enoate;ethoxysilane;propyl 2-methylprop-2-enoate?
The InChIKey is COMITCBXNBHCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C7H12O2.C2H8OSi/c1-4-5-6-10-8(9)7(2)3;1-4-5-9-7(8)6(2)3;1-2-3-4/h2,4-6H2,1,3H3;2,4-5H2,1,3H3;2H2,1,4H3.
What are the key properties of butyl 2-methylprop-2-enoate;ethoxysilane;propyl 2-methylprop-2-enoate?
butyl 2-methylprop-2-enoate;ethoxysilane;propyl 2-methylprop-2-enoate has a molecular weight of 346.54 g/mol, XLogP of 2.72, 8 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;ethoxysilane;propyl 2-methylprop-2-enoate is sourced from PubChem (CID 175326271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).