2-dimethylsilyloxy-6,6-dimethylhept-4-enoic acid

C11H22O3Si — CID 173134575

IUPAC2-dimethylsilyloxy-6,6-dimethylhept-4-enoic acid
SMILESC[SiH](C)OC(CC=CC(C)(C)C)C(=O)O
InChIInChI=1S/C11H22O3Si/c1-11(2,3)8-6-7-9(10(12)13)14-15(4)5/h6,8-9,15H,7H2,1-5H3,(H,12,13)
InChIKeyLUDVGWSLOUBGOR-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.43
Rot. Bonds5

About 2-dimethylsilyloxy-6,6-dimethylhept-4-enoic acid

2-dimethylsilyloxy-6,6-dimethylhept-4-enoic acid (PubChem CID 173134575) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is 2-dimethylsilyloxy-6,6-dimethylhept-4-enoic acid.

Molecular Properties

Compound Name2-dimethylsilyloxy-6,6-dimethylhept-4-enoic acid
PubChem CID173134575
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Name2-dimethylsilyloxy-6,6-dimethylhept-4-enoic acid
SMILESC[SiH](C)OC(CC=CC(C)(C)C)C(=O)O
InChIInChI=1S/C11H22O3Si/c1-11(2,3)8-6-7-9(10(12)13)14-15(4)5/h6,8-9,15H,7H2,1-5H3,(H,12,13)
InChIKeyLUDVGWSLOUBGOR-UHFFFAOYSA-N
XLogP2.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-dimethylsilyloxy-6,6-dimethylhept-4-enoic acid?
The IUPAC name of 2-dimethylsilyloxy-6,6-dimethylhept-4-enoic acid (CID 173134575) is 2-dimethylsilyloxy-6,6-dimethylhept-4-enoic acid.
What is the SMILES notation for 2-dimethylsilyloxy-6,6-dimethylhept-4-enoic acid?
The canonical SMILES for 2-dimethylsilyloxy-6,6-dimethylhept-4-enoic acid is C[SiH](C)OC(CC=CC(C)(C)C)C(=O)O.
What is the InChIKey of 2-dimethylsilyloxy-6,6-dimethylhept-4-enoic acid?
The InChIKey is LUDVGWSLOUBGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-11(2,3)8-6-7-9(10(12)13)14-15(4)5/h6,8-9,15H,7H2,1-5H3,(H,12,13).
What are the key properties of 2-dimethylsilyloxy-6,6-dimethylhept-4-enoic acid?
2-dimethylsilyloxy-6,6-dimethylhept-4-enoic acid has a molecular weight of 230.38 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylsilyloxy-6,6-dimethylhept-4-enoic acid is sourced from PubChem (CID 173134575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).