2-methyl-6-trimethoxysilylhex-2-enoic acid;sulfane

C10H22O5SSi — CID 173006687

IUPAC2-methyl-6-trimethoxysilylhex-2-enoic acid;sulfane
SMILESCO[Si](CCCC=C(C)C(=O)O)(OC)OC.S
InChIInChI=1S/C10H20O5Si.H2S/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);1H2
InChIKeyPAWVOPFXQNMUJZ-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.79
Rot. Bonds8

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

2-methyl-6-trimethoxysilylhex-2-enoic acid;sulfane (PubChem CID 173006687) has the molecular formula C10H22O5SSi and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-methyl-6-trimethoxysilylhex-2-enoic acid;sulfane.

Molecular Properties

Compound Name2-methyl-6-trimethoxysilylhex-2-enoic acid;sulfane
PubChem CID173006687
Molecular FormulaC10H22O5SSi
Molecular Weight282.43 g/mol
Exact Mass282.10
IUPAC Name2-methyl-6-trimethoxysilylhex-2-enoic acid;sulfane
SMILESCO[Si](CCCC=C(C)C(=O)O)(OC)OC.S
InChIInChI=1S/C10H20O5Si.H2S/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);1H2
InChIKeyPAWVOPFXQNMUJZ-UHFFFAOYSA-N
XLogP1.79
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.79
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

(E)-2-methyl-6-trimethoxysilylhex-2-enoic acid
CID 57455697
(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 2-methyl-6-trimethoxysilylhex-2-enoic acid;sulfane?
The IUPAC name of 2-methyl-6-trimethoxysilylhex-2-enoic acid;sulfane (CID 173006687) is 2-methyl-6-trimethoxysilylhex-2-enoic acid;sulfane.
What is the SMILES notation for 2-methyl-6-trimethoxysilylhex-2-enoic acid;sulfane?
The canonical SMILES for 2-methyl-6-trimethoxysilylhex-2-enoic acid;sulfane is CO[Si](CCCC=C(C)C(=O)O)(OC)OC.S.
What is the InChIKey of 2-methyl-6-trimethoxysilylhex-2-enoic acid;sulfane?
The InChIKey is PAWVOPFXQNMUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5Si.H2S/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);1H2.
What are the key properties of 2-methyl-6-trimethoxysilylhex-2-enoic acid;sulfane?
2-methyl-6-trimethoxysilylhex-2-enoic acid;sulfane has a molecular weight of 282.43 g/mol, XLogP of 1.79, 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;sulfane is sourced from PubChem (CID 173006687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).