(E)-2-methyl-6-trimethoxysilylhex-2-enoic acid

C10H20O5Si — CID 57455697

IUPAC(E)-2-methyl-6-trimethoxysilylhex-2-enoic acid
SMILESCO[Si](CCC/C=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)/b9-7+
InChIKeyKCHLLAWHWKRZIV-VQHVLOKHSA-N
MW248.35 g/mol
LogP1.68
Rot. Bonds8

About (E)-2-methyl-6-trimethoxysilylhex-2-enoic acid

(E)-2-methyl-6-trimethoxysilylhex-2-enoic acid (PubChem CID 57455697) has the molecular formula C10H20O5Si and a molecular weight of 248.35 g/mol. Its IUPAC name is (E)-2-methyl-6-trimethoxysilylhex-2-enoic acid.

Molecular Properties

Compound Name(E)-2-methyl-6-trimethoxysilylhex-2-enoic acid
PubChem CID57455697
Molecular FormulaC10H20O5Si
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name(E)-2-methyl-6-trimethoxysilylhex-2-enoic acid
SMILESCO[Si](CCC/C=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)/b9-7+
InChIKeyKCHLLAWHWKRZIV-VQHVLOKHSA-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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Related Compounds

2-methyl-6-trimethoxysilylhex-2-enoic acid;sulfane
CID 173006687
(E)-2-methyl-6-tri(propan-2-yloxy)silylhex-2-enoic acid
CID 87648980
2-methyl-6-tris[[methyl-bis(trimethylsilyloxy)silyl]oxy]silylhex-2-enoic acid
CID 57280861
2-methyl-6-trimethoxysilylhex-2-enoic acid;3-triethoxysilylpropyl 2-methylprop-2-enoate
CID 162204652
6-[chloro(dimethyl)silyl]-2-methylhex-2-enoic acid
CID 91175043
2,13-dimethyltetradeca-2,12-dienedioic acid
CID 173279289
4-(dimethylamino)-2-methyl-5-(2-methyl-6-trimethoxysilylhex-2-enoyl)oxypent-2-enoic acid
CID 174831331
8-amino-2-methyloct-2-enoic acid
CID 90963841
(E)-7-bromo-2-methylhept-2-enoic acid
CID 87183825
(E)-6-ethoxy-2-methylhex-2-enoic acid
CID 87120210
methane;2-methyl-6-silylhex-2-enoic acid
CID 173490194
(Z)-2-methylnon-2-enoic acid
CID 19098031

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-6-trimethoxysilylhex-2-enoic acid?
The IUPAC name of (E)-2-methyl-6-trimethoxysilylhex-2-enoic acid (CID 57455697) is (E)-2-methyl-6-trimethoxysilylhex-2-enoic acid.
What is the SMILES notation for (E)-2-methyl-6-trimethoxysilylhex-2-enoic acid?
The canonical SMILES for (E)-2-methyl-6-trimethoxysilylhex-2-enoic acid is CO[Si](CCC/C=C(\C)C(=O)O)(OC)OC.
What is the InChIKey of (E)-2-methyl-6-trimethoxysilylhex-2-enoic acid?
The InChIKey is KCHLLAWHWKRZIV-VQHVLOKHSA-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)/b9-7+.
What are the key properties of (E)-2-methyl-6-trimethoxysilylhex-2-enoic acid?
(E)-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 (E)-2-methyl-6-trimethoxysilylhex-2-enoic acid is sourced from PubChem (CID 57455697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).