trimethoxysilyl 2-methylhex-2-enoate

C10H20O5Si — CID 57255707

IUPACtrimethoxysilyl 2-methylhex-2-enoate
SMILESCCCC=C(C)C(=O)O[Si](OC)(OC)OC
InChIInChI=1S/C10H20O5Si/c1-6-7-8-9(2)10(11)15-16(12-3,13-4)14-5/h8H,6-7H2,1-5H3
InChIKeyCLCMTDPVKAALLC-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.65
Rot. Bonds7

About trimethoxysilyl 2-methylhex-2-enoate

trimethoxysilyl 2-methylhex-2-enoate (PubChem CID 57255707) has the molecular formula C10H20O5Si and a molecular weight of 248.35 g/mol. Its IUPAC name is trimethoxysilyl 2-methylhex-2-enoate.

Molecular Properties

Compound Nametrimethoxysilyl 2-methylhex-2-enoate
PubChem CID57255707
Molecular FormulaC10H20O5Si
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Nametrimethoxysilyl 2-methylhex-2-enoate
SMILESCCCC=C(C)C(=O)O[Si](OC)(OC)OC
InChIInChI=1S/C10H20O5Si/c1-6-7-8-9(2)10(11)15-16(12-3,13-4)14-5/h8H,6-7H2,1-5H3
InChIKeyCLCMTDPVKAALLC-UHFFFAOYSA-N
XLogP1.65
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethoxysilyl 2-methylhex-2-enoate?
The IUPAC name of trimethoxysilyl 2-methylhex-2-enoate (CID 57255707) is trimethoxysilyl 2-methylhex-2-enoate.
What is the SMILES notation for trimethoxysilyl 2-methylhex-2-enoate?
The canonical SMILES for trimethoxysilyl 2-methylhex-2-enoate is CCCC=C(C)C(=O)O[Si](OC)(OC)OC.
What is the InChIKey of trimethoxysilyl 2-methylhex-2-enoate?
The InChIKey is CLCMTDPVKAALLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5Si/c1-6-7-8-9(2)10(11)15-16(12-3,13-4)14-5/h8H,6-7H2,1-5H3.
What are the key properties of trimethoxysilyl 2-methylhex-2-enoate?
trimethoxysilyl 2-methylhex-2-enoate has a molecular weight of 248.35 g/mol, XLogP of 1.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxysilyl 2-methylhex-2-enoate is sourced from PubChem (CID 57255707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).