6-[dimethyl-(2-trimethylsilyloxan-2-yl)silyl]-2-methylhex-2-enoic acid

C17H34O3Si2 — CID 57021095

IUPAC6-[dimethyl-(2-trimethylsilyloxan-2-yl)silyl]-2-methylhex-2-enoic acid
SMILESCC(=CCCC[Si](C)(C)C1([Si](C)(C)C)CCCCO1)C(=O)O
InChIInChI=1S/C17H34O3Si2/c1-15(16(18)19)11-7-10-14-22(5,6)17(21(2,3)4)12-8-9-13-20-17/h11H,7-10,12-14H2,1-6H3,(H,18,19)
InChIKeyBPEMLXCFMQGXIZ-UHFFFAOYSA-N
MW342.63 g/mol
LogP4.86
Rot. Bonds7

About 6-[dimethyl-(2-trimethylsilyloxan-2-yl)silyl]-2-methylhex-2-enoic acid

6-[dimethyl-(2-trimethylsilyloxan-2-yl)silyl]-2-methylhex-2-enoic acid (PubChem CID 57021095) has the molecular formula C17H34O3Si2 and a molecular weight of 342.63 g/mol. Its IUPAC name is 6-[dimethyl-(2-trimethylsilyloxan-2-yl)silyl]-2-methylhex-2-enoic acid.

Molecular Properties

Compound Name6-[dimethyl-(2-trimethylsilyloxan-2-yl)silyl]-2-methylhex-2-enoic acid
PubChem CID57021095
Molecular FormulaC17H34O3Si2
Molecular Weight342.63 g/mol
Exact Mass342.20
IUPAC Name6-[dimethyl-(2-trimethylsilyloxan-2-yl)silyl]-2-methylhex-2-enoic acid
SMILESCC(=CCCC[Si](C)(C)C1([Si](C)(C)C)CCCCO1)C(=O)O
InChIInChI=1S/C17H34O3Si2/c1-15(16(18)19)11-7-10-14-22(5,6)17(21(2,3)4)12-8-9-13-20-17/h11H,7-10,12-14H2,1-6H3,(H,18,19)
InChIKeyBPEMLXCFMQGXIZ-UHFFFAOYSA-N
XLogP4.86
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.63
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6-[dimethyl-(2-trimethylsilyloxan-2-yl)silyl]-2-methylhex-2-enoic acid?
The IUPAC name of 6-[dimethyl-(2-trimethylsilyloxan-2-yl)silyl]-2-methylhex-2-enoic acid (CID 57021095) is 6-[dimethyl-(2-trimethylsilyloxan-2-yl)silyl]-2-methylhex-2-enoic acid.
What is the SMILES notation for 6-[dimethyl-(2-trimethylsilyloxan-2-yl)silyl]-2-methylhex-2-enoic acid?
The canonical SMILES for 6-[dimethyl-(2-trimethylsilyloxan-2-yl)silyl]-2-methylhex-2-enoic acid is CC(=CCCC[Si](C)(C)C1([Si](C)(C)C)CCCCO1)C(=O)O.
What is the InChIKey of 6-[dimethyl-(2-trimethylsilyloxan-2-yl)silyl]-2-methylhex-2-enoic acid?
The InChIKey is BPEMLXCFMQGXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3Si2/c1-15(16(18)19)11-7-10-14-22(5,6)17(21(2,3)4)12-8-9-13-20-17/h11H,7-10,12-14H2,1-6H3,(H,18,19).
What are the key properties of 6-[dimethyl-(2-trimethylsilyloxan-2-yl)silyl]-2-methylhex-2-enoic acid?
6-[dimethyl-(2-trimethylsilyloxan-2-yl)silyl]-2-methylhex-2-enoic acid has a molecular weight of 342.63 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[dimethyl-(2-trimethylsilyloxan-2-yl)silyl]-2-methylhex-2-enoic acid is sourced from PubChem (CID 57021095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).