4-methyl-1-triethoxysilylpent-4-en-1-ol

C12H26O4Si — CID 87112371

IUPAC4-methyl-1-triethoxysilylpent-4-en-1-ol
SMILESC=C(C)CCC(O)[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H26O4Si/c1-6-14-17(15-7-2,16-8-3)12(13)10-9-11(4)5/h12-13H,4,6-10H2,1-3,5H3
InChIKeyYVJREMKUWSHYCU-UHFFFAOYSA-N
MW262.42 g/mol
LogP2.29
Rot. Bonds10

About 4-methyl-1-triethoxysilylpent-4-en-1-ol

4-methyl-1-triethoxysilylpent-4-en-1-ol (PubChem CID 87112371) has the molecular formula C12H26O4Si and a molecular weight of 262.42 g/mol. Its IUPAC name is 4-methyl-1-triethoxysilylpent-4-en-1-ol.

Molecular Properties

Compound Name4-methyl-1-triethoxysilylpent-4-en-1-ol
PubChem CID87112371
Molecular FormulaC12H26O4Si
Molecular Weight262.42 g/mol
Exact Mass262.16
IUPAC Name4-methyl-1-triethoxysilylpent-4-en-1-ol
SMILESC=C(C)CCC(O)[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H26O4Si/c1-6-14-17(15-7-2,16-8-3)12(13)10-9-11(4)5/h12-13H,4,6-10H2,1-3,5H3
InChIKeyYVJREMKUWSHYCU-UHFFFAOYSA-N
XLogP2.29
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-methyl-1-triethoxysilylpent-4-en-1-ol?
The IUPAC name of 4-methyl-1-triethoxysilylpent-4-en-1-ol (CID 87112371) is 4-methyl-1-triethoxysilylpent-4-en-1-ol.
What is the SMILES notation for 4-methyl-1-triethoxysilylpent-4-en-1-ol?
The canonical SMILES for 4-methyl-1-triethoxysilylpent-4-en-1-ol is C=C(C)CCC(O)[Si](OCC)(OCC)OCC.
What is the InChIKey of 4-methyl-1-triethoxysilylpent-4-en-1-ol?
The InChIKey is YVJREMKUWSHYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4Si/c1-6-14-17(15-7-2,16-8-3)12(13)10-9-11(4)5/h12-13H,4,6-10H2,1-3,5H3.
What are the key properties of 4-methyl-1-triethoxysilylpent-4-en-1-ol?
4-methyl-1-triethoxysilylpent-4-en-1-ol has a molecular weight of 262.42 g/mol, XLogP of 2.29, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-triethoxysilylpent-4-en-1-ol is sourced from PubChem (CID 87112371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).