2-(3-dodecoxy-1-hydroperoxypropyl)-5-(2-trimethoxysilylethyl)cyclohexan-1-ol

C26H54O7Si — CID 140928265

IUPAC2-(3-dodecoxy-1-hydroperoxypropyl)-5-(2-trimethoxysilylethyl)cyclohexan-1-ol
SMILESCCCCCCCCCCCCOCCC(OO)C1CCC(CC[Si](OC)(OC)OC)CC1O
InChIInChI=1S/C26H54O7Si/c1-5-6-7-8-9-10-11-12-13-14-19-32-20-17-26(33-28)24-16-15-23(22-25(24)27)18-21-34(29-2,30-3)31-4/h23-28H,5-22H2,1-4H3
InChIKeyMTAJZIFVHPYSKM-UHFFFAOYSA-N
MW506.80 g/mol
LogP6.22
Rot. Bonds22

About 2-(3-dodecoxy-1-hydroperoxypropyl)-5-(2-trimethoxysilylethyl)cyclohexan-1-ol

2-(3-dodecoxy-1-hydroperoxypropyl)-5-(2-trimethoxysilylethyl)cyclohexan-1-ol (PubChem CID 140928265) has the molecular formula C26H54O7Si and a molecular weight of 506.80 g/mol. Its IUPAC name is 2-(3-dodecoxy-1-hydroperoxypropyl)-5-(2-trimethoxysilylethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(3-dodecoxy-1-hydroperoxypropyl)-5-(2-trimethoxysilylethyl)cyclohexan-1-ol
PubChem CID140928265
Molecular FormulaC26H54O7Si
Molecular Weight506.80 g/mol
Exact Mass506.36
IUPAC Name2-(3-dodecoxy-1-hydroperoxypropyl)-5-(2-trimethoxysilylethyl)cyclohexan-1-ol
SMILESCCCCCCCCCCCCOCCC(OO)C1CCC(CC[Si](OC)(OC)OC)CC1O
InChIInChI=1S/C26H54O7Si/c1-5-6-7-8-9-10-11-12-13-14-19-32-20-17-26(33-28)24-16-15-23(22-25(24)27)18-21-34(29-2,30-3)31-4/h23-28H,5-22H2,1-4H3
InChIKeyMTAJZIFVHPYSKM-UHFFFAOYSA-N
XLogP6.22
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.80
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-dodecoxy-1-hydroperoxypropyl)-5-(2-trimethoxysilylethyl)cyclohexan-1-ol?
The IUPAC name of 2-(3-dodecoxy-1-hydroperoxypropyl)-5-(2-trimethoxysilylethyl)cyclohexan-1-ol (CID 140928265) is 2-(3-dodecoxy-1-hydroperoxypropyl)-5-(2-trimethoxysilylethyl)cyclohexan-1-ol.
What is the SMILES notation for 2-(3-dodecoxy-1-hydroperoxypropyl)-5-(2-trimethoxysilylethyl)cyclohexan-1-ol?
The canonical SMILES for 2-(3-dodecoxy-1-hydroperoxypropyl)-5-(2-trimethoxysilylethyl)cyclohexan-1-ol is CCCCCCCCCCCCOCCC(OO)C1CCC(CC[Si](OC)(OC)OC)CC1O.
What is the InChIKey of 2-(3-dodecoxy-1-hydroperoxypropyl)-5-(2-trimethoxysilylethyl)cyclohexan-1-ol?
The InChIKey is MTAJZIFVHPYSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O7Si/c1-5-6-7-8-9-10-11-12-13-14-19-32-20-17-26(33-28)24-16-15-23(22-25(24)27)18-21-34(29-2,30-3)31-4/h23-28H,5-22H2,1-4H3.
What are the key properties of 2-(3-dodecoxy-1-hydroperoxypropyl)-5-(2-trimethoxysilylethyl)cyclohexan-1-ol?
2-(3-dodecoxy-1-hydroperoxypropyl)-5-(2-trimethoxysilylethyl)cyclohexan-1-ol has a molecular weight of 506.80 g/mol, XLogP of 6.22, 22 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dodecoxy-1-hydroperoxypropyl)-5-(2-trimethoxysilylethyl)cyclohexan-1-ol is sourced from PubChem (CID 140928265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).