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

C16H32O5Si — CID 57034804

IUPAC2-methyl-6-tri(propan-2-yloxy)silylhex-2-enoic acid
SMILESCC(=CCCC[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)
InChIKeyPOASMWSEALVVFI-UHFFFAOYSA-N
MW332.51 g/mol
LogP4.01
Rot. Bonds11

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

2-methyl-6-tri(propan-2-yloxy)silylhex-2-enoic acid (PubChem CID 57034804) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is 2-methyl-6-tri(propan-2-yloxy)silylhex-2-enoic acid.

Molecular Properties

Compound Name2-methyl-6-tri(propan-2-yloxy)silylhex-2-enoic acid
PubChem CID57034804
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Name2-methyl-6-tri(propan-2-yloxy)silylhex-2-enoic acid
SMILESCC(=CCCC[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)
InChIKeyPOASMWSEALVVFI-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-tri(propan-2-yloxy)silylhex-2-enoic acid?
The IUPAC name of 2-methyl-6-tri(propan-2-yloxy)silylhex-2-enoic acid (CID 57034804) is 2-methyl-6-tri(propan-2-yloxy)silylhex-2-enoic acid.
What is the SMILES notation for 2-methyl-6-tri(propan-2-yloxy)silylhex-2-enoic acid?
The canonical SMILES for 2-methyl-6-tri(propan-2-yloxy)silylhex-2-enoic acid is CC(=CCCC[Si](OC(C)C)(OC(C)C)OC(C)C)C(=O)O.
What is the InChIKey of 2-methyl-6-tri(propan-2-yloxy)silylhex-2-enoic acid?
The InChIKey is POASMWSEALVVFI-UHFFFAOYSA-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).
What are the key properties of 2-methyl-6-tri(propan-2-yloxy)silylhex-2-enoic acid?
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 2-methyl-6-tri(propan-2-yloxy)silylhex-2-enoic acid is sourced from PubChem (CID 57034804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).