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

C15H28O5 — CID 139257561

IUPAC[1-hydroperoxy-2-[2-(2-propan-2-yl-1,3-dioxolan-2-yl)ethyl]cyclohexyl]methanol
SMILESCC(C)C1(CCC2CCCCC2(CO)OO)OCCO1
InChIInChI=1S/C15H28O5/c1-12(2)15(18-9-10-19-15)8-6-13-5-3-4-7-14(13,11-16)20-17/h12-13,16-17H,3-11H2,1-2H3
InChIKeyONBJJDOKDXTNAU-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.58
Rot. Bonds6

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

[1-hydroperoxy-2-[2-(2-propan-2-yl-1,3-dioxolan-2-yl)ethyl]cyclohexyl]methanol (PubChem CID 139257561) has the molecular formula C15H28O5 and a molecular weight of 288.38 g/mol. Its IUPAC name is [1-hydroperoxy-2-[2-(2-propan-2-yl-1,3-dioxolan-2-yl)ethyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-hydroperoxy-2-[2-(2-propan-2-yl-1,3-dioxolan-2-yl)ethyl]cyclohexyl]methanol
PubChem CID139257561
Molecular FormulaC15H28O5
Molecular Weight288.38 g/mol
Exact Mass288.19
IUPAC Name[1-hydroperoxy-2-[2-(2-propan-2-yl-1,3-dioxolan-2-yl)ethyl]cyclohexyl]methanol
SMILESCC(C)C1(CCC2CCCCC2(CO)OO)OCCO1
InChIInChI=1S/C15H28O5/c1-12(2)15(18-9-10-19-15)8-6-13-5-3-4-7-14(13,11-16)20-17/h12-13,16-17H,3-11H2,1-2H3
InChIKeyONBJJDOKDXTNAU-UHFFFAOYSA-N
XLogP2.58
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.58
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'}

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Frequently Asked Questions

What is the IUPAC name of [1-hydroperoxy-2-[2-(2-propan-2-yl-1,3-dioxolan-2-yl)ethyl]cyclohexyl]methanol?
The IUPAC name of [1-hydroperoxy-2-[2-(2-propan-2-yl-1,3-dioxolan-2-yl)ethyl]cyclohexyl]methanol (CID 139257561) is [1-hydroperoxy-2-[2-(2-propan-2-yl-1,3-dioxolan-2-yl)ethyl]cyclohexyl]methanol.
What is the SMILES notation for [1-hydroperoxy-2-[2-(2-propan-2-yl-1,3-dioxolan-2-yl)ethyl]cyclohexyl]methanol?
The canonical SMILES for [1-hydroperoxy-2-[2-(2-propan-2-yl-1,3-dioxolan-2-yl)ethyl]cyclohexyl]methanol is CC(C)C1(CCC2CCCCC2(CO)OO)OCCO1.
What is the InChIKey of [1-hydroperoxy-2-[2-(2-propan-2-yl-1,3-dioxolan-2-yl)ethyl]cyclohexyl]methanol?
The InChIKey is ONBJJDOKDXTNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O5/c1-12(2)15(18-9-10-19-15)8-6-13-5-3-4-7-14(13,11-16)20-17/h12-13,16-17H,3-11H2,1-2H3.
What are the key properties of [1-hydroperoxy-2-[2-(2-propan-2-yl-1,3-dioxolan-2-yl)ethyl]cyclohexyl]methanol?
[1-hydroperoxy-2-[2-(2-propan-2-yl-1,3-dioxolan-2-yl)ethyl]cyclohexyl]methanol has a molecular weight of 288.38 g/mol, XLogP of 2.58, 6 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-propan-2-yl-1,3-dioxolan-2-yl)ethyl]cyclohexyl]methanol is sourced from PubChem (CID 139257561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).