5-(5-hydroxy-3-methylheptan-3-yl)peroxy-5-methylheptan-3-ol

C16H34O4 — CID 54376385

IUPAC5-(5-hydroxy-3-methylheptan-3-yl)peroxy-5-methylheptan-3-ol
SMILESCCC(O)CC(C)(CC)OOC(C)(CC)CC(O)CC
InChIInChI=1S/C16H34O4/c1-7-13(17)11-15(5,9-3)19-20-16(6,10-4)12-14(18)8-2/h13-14,17-18H,7-12H2,1-6H3
InChIKeyUWUFTDWMLQXTAU-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.59
Rot. Bonds11

About 5-(5-hydroxy-3-methylheptan-3-yl)peroxy-5-methylheptan-3-ol

5-(5-hydroxy-3-methylheptan-3-yl)peroxy-5-methylheptan-3-ol (PubChem CID 54376385) has the molecular formula C16H34O4 and a molecular weight of 290.44 g/mol. Its IUPAC name is 5-(5-hydroxy-3-methylheptan-3-yl)peroxy-5-methylheptan-3-ol.

Molecular Properties

Compound Name5-(5-hydroxy-3-methylheptan-3-yl)peroxy-5-methylheptan-3-ol
PubChem CID54376385
Molecular FormulaC16H34O4
Molecular Weight290.44 g/mol
Exact Mass290.25
IUPAC Name5-(5-hydroxy-3-methylheptan-3-yl)peroxy-5-methylheptan-3-ol
SMILESCCC(O)CC(C)(CC)OOC(C)(CC)CC(O)CC
InChIInChI=1S/C16H34O4/c1-7-13(17)11-15(5,9-3)19-20-16(6,10-4)12-14(18)8-2/h13-14,17-18H,7-12H2,1-6H3
InChIKeyUWUFTDWMLQXTAU-UHFFFAOYSA-N
XLogP3.59
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(5-hydroxy-3-methylheptan-3-yl)peroxy-5-methylheptan-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

5-(2-hydroxy-4,4-dimethylhexoxy)-5-methylheptan-3-ol
CID 134416227
3-methyl-3-(3-methylpentan-3-ylperoxy)pentane
CID 19875132
5,5,7,7-tetramethylnonan-3-ol
CID 91489156
pentane-1,1,1,3-tetrol
CID 176711420
5-amino-5-(2-hydroxy-4-methylpentoxy)hexan-3-ol
CID 155443640
2,4-dihydroxyhexan-2-yl 2-methylpropanoate
CID 141043287
5-ethyl-7-methylnonane-3,5-diol
CID 87744133
ethane;1,1,1-trifluoropentan-3-ol
CID 170602798
pentan-3-ol
CID 11428
5,5,6,6,6-pentafluorohexan-3-ol
CID 154388893
tetradecane-3,6,9,12-tetrol
CID 57081340
undecane-3,6,9-triol
CID 57025994

Frequently Asked Questions

What is the IUPAC name of 5-(5-hydroxy-3-methylheptan-3-yl)peroxy-5-methylheptan-3-ol?
The IUPAC name of 5-(5-hydroxy-3-methylheptan-3-yl)peroxy-5-methylheptan-3-ol (CID 54376385) is 5-(5-hydroxy-3-methylheptan-3-yl)peroxy-5-methylheptan-3-ol.
What is the SMILES notation for 5-(5-hydroxy-3-methylheptan-3-yl)peroxy-5-methylheptan-3-ol?
The canonical SMILES for 5-(5-hydroxy-3-methylheptan-3-yl)peroxy-5-methylheptan-3-ol is CCC(O)CC(C)(CC)OOC(C)(CC)CC(O)CC.
What is the InChIKey of 5-(5-hydroxy-3-methylheptan-3-yl)peroxy-5-methylheptan-3-ol?
The InChIKey is UWUFTDWMLQXTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O4/c1-7-13(17)11-15(5,9-3)19-20-16(6,10-4)12-14(18)8-2/h13-14,17-18H,7-12H2,1-6H3.
What are the key properties of 5-(5-hydroxy-3-methylheptan-3-yl)peroxy-5-methylheptan-3-ol?
5-(5-hydroxy-3-methylheptan-3-yl)peroxy-5-methylheptan-3-ol has a molecular weight of 290.44 g/mol, XLogP of 3.59, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-hydroxy-3-methylheptan-3-yl)peroxy-5-methylheptan-3-ol is sourced from PubChem (CID 54376385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).