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

C9H17ClO2Si — CID 91175043

IUPAC6-[chloro(dimethyl)silyl]-2-methylhex-2-enoic acid
SMILESCC(=CCCC[Si](C)(C)Cl)C(=O)O
InChIInChI=1S/C9H17ClO2Si/c1-8(9(11)12)6-4-5-7-13(2,3)10/h6H,4-5,7H2,1-3H3,(H,11,12)
InChIKeyWBKXKGCANJNJPK-UHFFFAOYSA-N
MW220.77 g/mol
LogP3.24
Rot. Bonds5

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

6-[chloro(dimethyl)silyl]-2-methylhex-2-enoic acid (PubChem CID 91175043) has the molecular formula C9H17ClO2Si and a molecular weight of 220.77 g/mol. Its IUPAC name is 6-[chloro(dimethyl)silyl]-2-methylhex-2-enoic acid.

Molecular Properties

Compound Name6-[chloro(dimethyl)silyl]-2-methylhex-2-enoic acid
PubChem CID91175043
Molecular FormulaC9H17ClO2Si
Molecular Weight220.77 g/mol
Exact Mass220.07
IUPAC Name6-[chloro(dimethyl)silyl]-2-methylhex-2-enoic acid
SMILESCC(=CCCC[Si](C)(C)Cl)C(=O)O
InChIInChI=1S/C9H17ClO2Si/c1-8(9(11)12)6-4-5-7-13(2,3)10/h6H,4-5,7H2,1-3H3,(H,11,12)
InChIKeyWBKXKGCANJNJPK-UHFFFAOYSA-N
XLogP3.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.77
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[chloro(dimethyl)silyl]-2-methylhex-2-enoic acid?
The IUPAC name of 6-[chloro(dimethyl)silyl]-2-methylhex-2-enoic acid (CID 91175043) is 6-[chloro(dimethyl)silyl]-2-methylhex-2-enoic acid.
What is the SMILES notation for 6-[chloro(dimethyl)silyl]-2-methylhex-2-enoic acid?
The canonical SMILES for 6-[chloro(dimethyl)silyl]-2-methylhex-2-enoic acid is CC(=CCCC[Si](C)(C)Cl)C(=O)O.
What is the InChIKey of 6-[chloro(dimethyl)silyl]-2-methylhex-2-enoic acid?
The InChIKey is WBKXKGCANJNJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClO2Si/c1-8(9(11)12)6-4-5-7-13(2,3)10/h6H,4-5,7H2,1-3H3,(H,11,12).
What are the key properties of 6-[chloro(dimethyl)silyl]-2-methylhex-2-enoic acid?
6-[chloro(dimethyl)silyl]-2-methylhex-2-enoic acid has a molecular weight of 220.77 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro(dimethyl)silyl]-2-methylhex-2-enoic acid is sourced from PubChem (CID 91175043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).