5-[ethenyl-(4-hydroxybutyl)-methylsilyl]-5-methylhexan-1-ol

C14H30O2Si — CID 141006622

IUPAC5-[ethenyl-(4-hydroxybutyl)-methylsilyl]-5-methylhexan-1-ol
SMILESC=C[Si](C)(CCCCO)C(C)(C)CCCCO
InChIInChI=1S/C14H30O2Si/c1-5-17(4,13-9-8-12-16)14(2,3)10-6-7-11-15/h5,15-16H,1,6-13H2,2-4H3
InChIKeyOQKGSJMZYPUTIP-UHFFFAOYSA-N
MW258.48 g/mol
LogP3.51
Rot. Bonds10

About 5-[ethenyl-(4-hydroxybutyl)-methylsilyl]-5-methylhexan-1-ol

5-[ethenyl-(4-hydroxybutyl)-methylsilyl]-5-methylhexan-1-ol (PubChem CID 141006622) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is 5-[ethenyl-(4-hydroxybutyl)-methylsilyl]-5-methylhexan-1-ol.

Molecular Properties

Compound Name5-[ethenyl-(4-hydroxybutyl)-methylsilyl]-5-methylhexan-1-ol
PubChem CID141006622
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name5-[ethenyl-(4-hydroxybutyl)-methylsilyl]-5-methylhexan-1-ol
SMILESC=C[Si](C)(CCCCO)C(C)(C)CCCCO
InChIInChI=1S/C14H30O2Si/c1-5-17(4,13-9-8-12-16)14(2,3)10-6-7-11-15/h5,15-16H,1,6-13H2,2-4H3
InChIKeyOQKGSJMZYPUTIP-UHFFFAOYSA-N
XLogP3.51
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[ethenyl-(4-hydroxybutyl)-methylsilyl]-5-methylhexan-1-ol?
The IUPAC name of 5-[ethenyl-(4-hydroxybutyl)-methylsilyl]-5-methylhexan-1-ol (CID 141006622) is 5-[ethenyl-(4-hydroxybutyl)-methylsilyl]-5-methylhexan-1-ol.
What is the SMILES notation for 5-[ethenyl-(4-hydroxybutyl)-methylsilyl]-5-methylhexan-1-ol?
The canonical SMILES for 5-[ethenyl-(4-hydroxybutyl)-methylsilyl]-5-methylhexan-1-ol is C=C[Si](C)(CCCCO)C(C)(C)CCCCO.
What is the InChIKey of 5-[ethenyl-(4-hydroxybutyl)-methylsilyl]-5-methylhexan-1-ol?
The InChIKey is OQKGSJMZYPUTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-5-17(4,13-9-8-12-16)14(2,3)10-6-7-11-15/h5,15-16H,1,6-13H2,2-4H3.
What are the key properties of 5-[ethenyl-(4-hydroxybutyl)-methylsilyl]-5-methylhexan-1-ol?
5-[ethenyl-(4-hydroxybutyl)-methylsilyl]-5-methylhexan-1-ol has a molecular weight of 258.48 g/mol, XLogP of 3.51, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethenyl-(4-hydroxybutyl)-methylsilyl]-5-methylhexan-1-ol is sourced from PubChem (CID 141006622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).