5-tri(propan-2-yloxy)silylcyclohex-3-ene-1,2-dicarboxylic acid

C17H30O7Si — CID 19379540

IUPAC5-tri(propan-2-yloxy)silylcyclohex-3-ene-1,2-dicarboxylic acid
SMILESCC(C)O[Si](OC(C)C)(OC(C)C)C1C=CC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C17H30O7Si/c1-10(2)22-25(23-11(3)4,24-12(5)6)13-7-8-14(16(18)19)15(9-13)17(20)21/h7-8,10-15H,9H2,1-6H3,(H,18,19)(H,20,21)
InChIKeyMMAJVHNQKODFMY-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.93
Rot. Bonds9

About 5-tri(propan-2-yloxy)silylcyclohex-3-ene-1,2-dicarboxylic acid

5-tri(propan-2-yloxy)silylcyclohex-3-ene-1,2-dicarboxylic acid (PubChem CID 19379540) has the molecular formula C17H30O7Si and a molecular weight of 374.51 g/mol. Its IUPAC name is 5-tri(propan-2-yloxy)silylcyclohex-3-ene-1,2-dicarboxylic acid.

Molecular Properties

Compound Name5-tri(propan-2-yloxy)silylcyclohex-3-ene-1,2-dicarboxylic acid
PubChem CID19379540
Molecular FormulaC17H30O7Si
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name5-tri(propan-2-yloxy)silylcyclohex-3-ene-1,2-dicarboxylic acid
SMILESCC(C)O[Si](OC(C)C)(OC(C)C)C1C=CC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C17H30O7Si/c1-10(2)22-25(23-11(3)4,24-12(5)6)13-7-8-14(16(18)19)15(9-13)17(20)21/h7-8,10-15H,9H2,1-6H3,(H,18,19)(H,20,21)
InChIKeyMMAJVHNQKODFMY-UHFFFAOYSA-N
XLogP2.93
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 5-tri(propan-2-yloxy)silylcyclohex-3-ene-1,2-dicarboxylic acid?
The IUPAC name of 5-tri(propan-2-yloxy)silylcyclohex-3-ene-1,2-dicarboxylic acid (CID 19379540) is 5-tri(propan-2-yloxy)silylcyclohex-3-ene-1,2-dicarboxylic acid.
What is the SMILES notation for 5-tri(propan-2-yloxy)silylcyclohex-3-ene-1,2-dicarboxylic acid?
The canonical SMILES for 5-tri(propan-2-yloxy)silylcyclohex-3-ene-1,2-dicarboxylic acid is CC(C)O[Si](OC(C)C)(OC(C)C)C1C=CC(C(=O)O)C(C(=O)O)C1.
What is the InChIKey of 5-tri(propan-2-yloxy)silylcyclohex-3-ene-1,2-dicarboxylic acid?
The InChIKey is MMAJVHNQKODFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O7Si/c1-10(2)22-25(23-11(3)4,24-12(5)6)13-7-8-14(16(18)19)15(9-13)17(20)21/h7-8,10-15H,9H2,1-6H3,(H,18,19)(H,20,21).
What are the key properties of 5-tri(propan-2-yloxy)silylcyclohex-3-ene-1,2-dicarboxylic acid?
5-tri(propan-2-yloxy)silylcyclohex-3-ene-1,2-dicarboxylic acid has a molecular weight of 374.51 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tri(propan-2-yloxy)silylcyclohex-3-ene-1,2-dicarboxylic acid is sourced from PubChem (CID 19379540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).