(E)-2-methyl-6-tri(propan-2-yloxy)silylhex-2-enoic acid

C16H32O5Si — CID 87648980

IUPAC(E)-2-methyl-6-tri(propan-2-yloxy)silylhex-2-enoic acid
SMILESC/C(=C\CCC[Si](OC(C)C)(OC(C)C)OC(C)C)C(=O)O
InChIInChI=1S/C16H32O5Si/c1-12(2)19-22(20-13(3)4,21-14(5)6)11-9-8-10-15(7)16(17)18/h10,12-14H,8-9,11H2,1-7H3,(H,17,18)/b15-10+
InChIKeyPOASMWSEALVVFI-XNTDXEJSSA-N
MW332.51 g/mol
LogP4.01
Rot. Bonds11

About (E)-2-methyl-6-tri(propan-2-yloxy)silylhex-2-enoic acid

(E)-2-methyl-6-tri(propan-2-yloxy)silylhex-2-enoic acid (PubChem CID 87648980) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is (E)-2-methyl-6-tri(propan-2-yloxy)silylhex-2-enoic acid.

Molecular Properties

Compound Name(E)-2-methyl-6-tri(propan-2-yloxy)silylhex-2-enoic acid
PubChem CID87648980
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Name(E)-2-methyl-6-tri(propan-2-yloxy)silylhex-2-enoic acid
SMILESC/C(=C\CCC[Si](OC(C)C)(OC(C)C)OC(C)C)C(=O)O
InChIInChI=1S/C16H32O5Si/c1-12(2)19-22(20-13(3)4,21-14(5)6)11-9-8-10-15(7)16(17)18/h10,12-14H,8-9,11H2,1-7H3,(H,17,18)/b15-10+
InChIKeyPOASMWSEALVVFI-XNTDXEJSSA-N
XLogP4.01
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 54.01
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'}

Analyze (E)-2-methyl-6-tri(propan-2-yloxy)silylhex-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2-methyl-6-trimethoxysilylhex-2-enoic acid
CID 57455697
2-methyl-6-trimethoxysilylhex-2-enoic acid;sulfane
CID 173006687
6-[chloro(dimethyl)silyl]-2-methylhex-2-enoic acid
CID 91175043
2-methyl-6-tris[[methyl-bis(trimethylsilyloxy)silyl]oxy]silylhex-2-enoic acid
CID 57280861
2,13-dimethyltetradeca-2,12-dienedioic acid
CID 173279289
methane;2-methyl-6-silylhex-2-enoic acid
CID 173490194
tri(propan-2-yloxy)-[4-tri(propan-2-yloxy)silylbutyl]silane
CID 87144652
8-hydroxy-2-methylnon-2-enoic acid
CID 57087697
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
4-(dimethylamino)-2-methyl-5-(2-methyl-6-trimethoxysilylhex-2-enoyl)oxypent-2-enoic acid
CID 174831331

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-6-tri(propan-2-yloxy)silylhex-2-enoic acid?
The IUPAC name of (E)-2-methyl-6-tri(propan-2-yloxy)silylhex-2-enoic acid (CID 87648980) is (E)-2-methyl-6-tri(propan-2-yloxy)silylhex-2-enoic acid.
What is the SMILES notation for (E)-2-methyl-6-tri(propan-2-yloxy)silylhex-2-enoic acid?
The canonical SMILES for (E)-2-methyl-6-tri(propan-2-yloxy)silylhex-2-enoic acid is C/C(=C\CCC[Si](OC(C)C)(OC(C)C)OC(C)C)C(=O)O.
What is the InChIKey of (E)-2-methyl-6-tri(propan-2-yloxy)silylhex-2-enoic acid?
The InChIKey is POASMWSEALVVFI-XNTDXEJSSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-12(2)19-22(20-13(3)4,21-14(5)6)11-9-8-10-15(7)16(17)18/h10,12-14H,8-9,11H2,1-7H3,(H,17,18)/b15-10+.
What are the key properties of (E)-2-methyl-6-tri(propan-2-yloxy)silylhex-2-enoic acid?
(E)-2-methyl-6-tri(propan-2-yloxy)silylhex-2-enoic acid has a molecular weight of 332.51 g/mol, XLogP of 4.01, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-6-tri(propan-2-yloxy)silylhex-2-enoic acid is sourced from PubChem (CID 87648980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).