2-methyl-6-trimethoxysilylhex-2-enoic acid

C10H20O5Si — CID 57199444

IUPAC2-methyl-6-trimethoxysilylhex-2-enoic acid
SMILESCO[Si](CCCC=C(C)C(=O)O)(OC)OC
InChIInChI=1S/C10H20O5Si/c1-9(10(11)12)7-5-6-8-16(13-2,14-3)15-4/h7H,5-6,8H2,1-4H3,(H,11,12)
InChIKeyKCHLLAWHWKRZIV-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.68
Rot. Bonds8

About 2-methyl-6-trimethoxysilylhex-2-enoic acid

2-methyl-6-trimethoxysilylhex-2-enoic acid (PubChem CID 57199444) has the molecular formula C10H20O5Si and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-methyl-6-trimethoxysilylhex-2-enoic acid.

Molecular Properties

Compound Name2-methyl-6-trimethoxysilylhex-2-enoic acid
PubChem CID57199444
Molecular FormulaC10H20O5Si
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name2-methyl-6-trimethoxysilylhex-2-enoic acid
SMILESCO[Si](CCCC=C(C)C(=O)O)(OC)OC
InChIInChI=1S/C10H20O5Si/c1-9(10(11)12)7-5-6-8-16(13-2,14-3)15-4/h7H,5-6,8H2,1-4H3,(H,11,12)
InChIKeyKCHLLAWHWKRZIV-UHFFFAOYSA-N
XLogP1.68
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-trimethoxysilylhex-2-enoic acid?
The IUPAC name of 2-methyl-6-trimethoxysilylhex-2-enoic acid (CID 57199444) is 2-methyl-6-trimethoxysilylhex-2-enoic acid.
What is the SMILES notation for 2-methyl-6-trimethoxysilylhex-2-enoic acid?
The canonical SMILES for 2-methyl-6-trimethoxysilylhex-2-enoic acid is CO[Si](CCCC=C(C)C(=O)O)(OC)OC.
What is the InChIKey of 2-methyl-6-trimethoxysilylhex-2-enoic acid?
The InChIKey is KCHLLAWHWKRZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5Si/c1-9(10(11)12)7-5-6-8-16(13-2,14-3)15-4/h7H,5-6,8H2,1-4H3,(H,11,12).
What are the key properties of 2-methyl-6-trimethoxysilylhex-2-enoic acid?
2-methyl-6-trimethoxysilylhex-2-enoic acid has a molecular weight of 248.35 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-trimethoxysilylhex-2-enoic acid is sourced from PubChem (CID 57199444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).