2-octoxy-5-(2-trimethoxysilylethyl)cyclohexan-1-ol

C19H40O5Si — CID 71350849

IUPAC2-octoxy-5-(2-trimethoxysilylethyl)cyclohexan-1-ol
SMILESCCCCCCCCOC1CCC(CC[Si](OC)(OC)OC)CC1O
InChIInChI=1S/C19H40O5Si/c1-5-6-7-8-9-10-14-24-19-12-11-17(16-18(19)20)13-15-25(21-2,22-3)23-4/h17-20H,5-16H2,1-4H3
InChIKeyREJCOMOAKWBNAM-UHFFFAOYSA-N
MW376.61 g/mol
LogP4.16
Rot. Bonds14

About 2-octoxy-5-(2-trimethoxysilylethyl)cyclohexan-1-ol

2-octoxy-5-(2-trimethoxysilylethyl)cyclohexan-1-ol (PubChem CID 71350849) has the molecular formula C19H40O5Si and a molecular weight of 376.61 g/mol. Its IUPAC name is 2-octoxy-5-(2-trimethoxysilylethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-octoxy-5-(2-trimethoxysilylethyl)cyclohexan-1-ol
PubChem CID71350849
Molecular FormulaC19H40O5Si
Molecular Weight376.61 g/mol
Exact Mass376.26
IUPAC Name2-octoxy-5-(2-trimethoxysilylethyl)cyclohexan-1-ol
SMILESCCCCCCCCOC1CCC(CC[Si](OC)(OC)OC)CC1O
InChIInChI=1S/C19H40O5Si/c1-5-6-7-8-9-10-14-24-19-12-11-17(16-18(19)20)13-15-25(21-2,22-3)23-4/h17-20H,5-16H2,1-4H3
InChIKeyREJCOMOAKWBNAM-UHFFFAOYSA-N
XLogP4.16
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.61
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-octoxy-5-(2-trimethoxysilylethyl)cyclohexan-1-ol?
The IUPAC name of 2-octoxy-5-(2-trimethoxysilylethyl)cyclohexan-1-ol (CID 71350849) is 2-octoxy-5-(2-trimethoxysilylethyl)cyclohexan-1-ol.
What is the SMILES notation for 2-octoxy-5-(2-trimethoxysilylethyl)cyclohexan-1-ol?
The canonical SMILES for 2-octoxy-5-(2-trimethoxysilylethyl)cyclohexan-1-ol is CCCCCCCCOC1CCC(CC[Si](OC)(OC)OC)CC1O.
What is the InChIKey of 2-octoxy-5-(2-trimethoxysilylethyl)cyclohexan-1-ol?
The InChIKey is REJCOMOAKWBNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O5Si/c1-5-6-7-8-9-10-14-24-19-12-11-17(16-18(19)20)13-15-25(21-2,22-3)23-4/h17-20H,5-16H2,1-4H3.
What are the key properties of 2-octoxy-5-(2-trimethoxysilylethyl)cyclohexan-1-ol?
2-octoxy-5-(2-trimethoxysilylethyl)cyclohexan-1-ol has a molecular weight of 376.61 g/mol, XLogP of 4.16, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octoxy-5-(2-trimethoxysilylethyl)cyclohexan-1-ol is sourced from PubChem (CID 71350849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).