[1-hydroperoxy-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexyl]methanol

C13H24O5 — CID 139257560

IUPAC[1-hydroperoxy-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexyl]methanol
SMILESCC1(CCC2CCCCC2(CO)OO)OCCO1
InChIInChI=1S/C13H24O5/c1-12(16-8-9-17-12)7-5-11-4-2-3-6-13(11,10-14)18-15/h11,14-15H,2-10H2,1H3
InChIKeyPOQSFDWRSFCNDN-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.94
Rot. Bonds5

About [1-hydroperoxy-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexyl]methanol

[1-hydroperoxy-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexyl]methanol (PubChem CID 139257560) has the molecular formula C13H24O5 and a molecular weight of 260.33 g/mol. Its IUPAC name is [1-hydroperoxy-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-hydroperoxy-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexyl]methanol
PubChem CID139257560
Molecular FormulaC13H24O5
Molecular Weight260.33 g/mol
Exact Mass260.16
IUPAC Name[1-hydroperoxy-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexyl]methanol
SMILESCC1(CCC2CCCCC2(CO)OO)OCCO1
InChIInChI=1S/C13H24O5/c1-12(16-8-9-17-12)7-5-11-4-2-3-6-13(11,10-14)18-15/h11,14-15H,2-10H2,1H3
InChIKeyPOQSFDWRSFCNDN-UHFFFAOYSA-N
XLogP1.94
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [1-hydroperoxy-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-hydroperoxy-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexyl]methanol?
The IUPAC name of [1-hydroperoxy-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexyl]methanol (CID 139257560) is [1-hydroperoxy-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexyl]methanol.
What is the SMILES notation for [1-hydroperoxy-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexyl]methanol?
The canonical SMILES for [1-hydroperoxy-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexyl]methanol is CC1(CCC2CCCCC2(CO)OO)OCCO1.
What is the InChIKey of [1-hydroperoxy-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexyl]methanol?
The InChIKey is POQSFDWRSFCNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O5/c1-12(16-8-9-17-12)7-5-11-4-2-3-6-13(11,10-14)18-15/h11,14-15H,2-10H2,1H3.
What are the key properties of [1-hydroperoxy-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexyl]methanol?
[1-hydroperoxy-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexyl]methanol has a molecular weight of 260.33 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroperoxy-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexyl]methanol is sourced from PubChem (CID 139257560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).