2,5-dihydroperoxy-3,4-dimethyl-5-(1-methylcyclohexyl)pentanoic acid

C14H26O6 — CID 21133604

IUPAC2,5-dihydroperoxy-3,4-dimethyl-5-(1-methylcyclohexyl)pentanoic acid
SMILESCC(C(OO)C(=O)O)C(C)C(OO)C1(C)CCCCC1
InChIInChI=1S/C14H26O6/c1-9(11(19-17)13(15)16)10(2)12(20-18)14(3)7-5-4-6-8-14/h9-12,17-18H,4-8H2,1-3H3,(H,15,16)
InChIKeyZUFLQGXUWNSPEV-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.03
Rot. Bonds7

About 2,5-dihydroperoxy-3,4-dimethyl-5-(1-methylcyclohexyl)pentanoic acid

2,5-dihydroperoxy-3,4-dimethyl-5-(1-methylcyclohexyl)pentanoic acid (PubChem CID 21133604) has the molecular formula C14H26O6 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2,5-dihydroperoxy-3,4-dimethyl-5-(1-methylcyclohexyl)pentanoic acid.

Molecular Properties

Compound Name2,5-dihydroperoxy-3,4-dimethyl-5-(1-methylcyclohexyl)pentanoic acid
PubChem CID21133604
Molecular FormulaC14H26O6
Molecular Weight290.36 g/mol
Exact Mass290.17
IUPAC Name2,5-dihydroperoxy-3,4-dimethyl-5-(1-methylcyclohexyl)pentanoic acid
SMILESCC(C(OO)C(=O)O)C(C)C(OO)C1(C)CCCCC1
InChIInChI=1S/C14H26O6/c1-9(11(19-17)13(15)16)10(2)12(20-18)14(3)7-5-4-6-8-14/h9-12,17-18H,4-8H2,1-3H3,(H,15,16)
InChIKeyZUFLQGXUWNSPEV-UHFFFAOYSA-N
XLogP3.03
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.03
H-Bond Donors ≤ 53
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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Related Compounds

(2s,4s,5r)-4,5-Dihydroxy-2-isopropyl-7-methyloctanoic acid
CID 56606541
(2s,4r,5s)-4,5-Dihydroxy-2-isopropyl-7-methyloctanoic acid
CID 56615192
2-[(1R,3S)-3-hydroxycyclohexyl]-2-methylpropanoic acid
CID 77163399
2-[(1S,3R)-3-hydroxycyclohexyl]-2,3-dimethylbutanoic acid
CID 77259490
2,2,3,3-Tetrakis(2,3-dihydroxypropyl)-16-methylheptadecanoic acid
CID 17775192
2,2,3-Tris(2,3-dihydroxypropyl)octanoic acid
CID 17775694
2,2,3,3,4-Pentakis(2,3-dihydroxypropyl)dodecanoic acid
CID 17909394
2,2,3-Tris(2,3-dihydroxypropyl)-16-methylheptadecanoic acid
CID 17980279
2-(2-Cyclohexylpropan-2-ylperoxy)-7,7-dimethyloctanoic acid
CID 18355888
2,2,3-Tris(2,3-dihydroxypropyl)octadecanoic acid
CID 19704613
2,5-Dihydroperoxy-3,4,6,6-tetramethyloctanoic acid
CID 21133603
2,5-Dihydroperoxy-3,4-dimethyl-6-oxoheptanoic acid
CID 21133605

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroperoxy-3,4-dimethyl-5-(1-methylcyclohexyl)pentanoic acid?
The IUPAC name of 2,5-dihydroperoxy-3,4-dimethyl-5-(1-methylcyclohexyl)pentanoic acid (CID 21133604) is 2,5-dihydroperoxy-3,4-dimethyl-5-(1-methylcyclohexyl)pentanoic acid.
What is the SMILES notation for 2,5-dihydroperoxy-3,4-dimethyl-5-(1-methylcyclohexyl)pentanoic acid?
The canonical SMILES for 2,5-dihydroperoxy-3,4-dimethyl-5-(1-methylcyclohexyl)pentanoic acid is CC(C(OO)C(=O)O)C(C)C(OO)C1(C)CCCCC1.
What is the InChIKey of 2,5-dihydroperoxy-3,4-dimethyl-5-(1-methylcyclohexyl)pentanoic acid?
The InChIKey is ZUFLQGXUWNSPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O6/c1-9(11(19-17)13(15)16)10(2)12(20-18)14(3)7-5-4-6-8-14/h9-12,17-18H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2,5-dihydroperoxy-3,4-dimethyl-5-(1-methylcyclohexyl)pentanoic acid?
2,5-dihydroperoxy-3,4-dimethyl-5-(1-methylcyclohexyl)pentanoic acid has a molecular weight of 290.36 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroperoxy-3,4-dimethyl-5-(1-methylcyclohexyl)pentanoic acid is sourced from PubChem (CID 21133604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).