6-tri(propan-2-yl)silylhex-4-enoic acid

C15H30O2Si — CID 76614486

IUPAC6-tri(propan-2-yl)silylhex-4-enoic acid
SMILESCC(C)[Si](CC=CCCC(=O)O)(C(C)C)C(C)C
InChIInChI=1S/C15H30O2Si/c1-12(2)18(13(3)4,14(5)6)11-9-7-8-10-15(16)17/h7,9,12-14H,8,10-11H2,1-6H3,(H,16,17)
InChIKeyIZHGLGDAFPRIAG-UHFFFAOYSA-N
MW270.49 g/mol
LogP5.09
Rot. Bonds8

About 6-tri(propan-2-yl)silylhex-4-enoic acid

6-tri(propan-2-yl)silylhex-4-enoic acid (PubChem CID 76614486) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is 6-tri(propan-2-yl)silylhex-4-enoic acid.

Molecular Properties

Compound Name6-tri(propan-2-yl)silylhex-4-enoic acid
PubChem CID76614486
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name6-tri(propan-2-yl)silylhex-4-enoic acid
SMILESCC(C)[Si](CC=CCCC(=O)O)(C(C)C)C(C)C
InChIInChI=1S/C15H30O2Si/c1-12(2)18(13(3)4,14(5)6)11-9-7-8-10-15(16)17/h7,9,12-14H,8,10-11H2,1-6H3,(H,16,17)
InChIKeyIZHGLGDAFPRIAG-UHFFFAOYSA-N
XLogP5.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.49
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 6-tri(propan-2-yl)silylhex-4-enoic acid?
The IUPAC name of 6-tri(propan-2-yl)silylhex-4-enoic acid (CID 76614486) is 6-tri(propan-2-yl)silylhex-4-enoic acid.
What is the SMILES notation for 6-tri(propan-2-yl)silylhex-4-enoic acid?
The canonical SMILES for 6-tri(propan-2-yl)silylhex-4-enoic acid is CC(C)[Si](CC=CCCC(=O)O)(C(C)C)C(C)C.
What is the InChIKey of 6-tri(propan-2-yl)silylhex-4-enoic acid?
The InChIKey is IZHGLGDAFPRIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-12(2)18(13(3)4,14(5)6)11-9-7-8-10-15(16)17/h7,9,12-14H,8,10-11H2,1-6H3,(H,16,17).
What are the key properties of 6-tri(propan-2-yl)silylhex-4-enoic acid?
6-tri(propan-2-yl)silylhex-4-enoic acid has a molecular weight of 270.49 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tri(propan-2-yl)silylhex-4-enoic acid is sourced from PubChem (CID 76614486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).