1-(3-hydroxypentylperoxy)pentan-3-ol

C10H22O4 — CID 141103396

IUPAC1-(3-hydroxypentylperoxy)pentan-3-ol
SMILESCCC(O)CCOOCCC(O)CC
InChIInChI=1S/C10H22O4/c1-3-9(11)5-7-13-14-8-6-10(12)4-2/h9-12H,3-8H2,1-2H3
InChIKeyBLMKTRGVRNSBSC-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.26
Rot. Bonds9

About 1-(3-hydroxypentylperoxy)pentan-3-ol

1-(3-hydroxypentylperoxy)pentan-3-ol (PubChem CID 141103396) has the molecular formula C10H22O4 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-(3-hydroxypentylperoxy)pentan-3-ol.

Molecular Properties

Compound Name1-(3-hydroxypentylperoxy)pentan-3-ol
PubChem CID141103396
Molecular FormulaC10H22O4
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name1-(3-hydroxypentylperoxy)pentan-3-ol
SMILESCCC(O)CCOOCCC(O)CC
InChIInChI=1S/C10H22O4/c1-3-9(11)5-7-13-14-8-6-10(12)4-2/h9-12H,3-8H2,1-2H3
InChIKeyBLMKTRGVRNSBSC-UHFFFAOYSA-N
XLogP1.26
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tetradecane-3,6,9,12-tetrol
CID 57081340
undecane-3,6,9-triol
CID 57025994
1-(2,2-difluoroethoxy)pentan-3-ol
CID 103147788
1-(ethoxymethoxy)pentan-3-ol
CID 139715478
2-[2-[2-[2-(3-hydroxypentoxy)ethoxy]ethoxy]ethoxy]acetic acid
CID 163504653
hexan-3-ol
CID 12178
nonane-3,7-diol
CID 22141483
bis(3,6-dihydroxyoctyl) carbonate
CID 146442796
6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-3-ol
CID 106802733
1-(2-methoxyethoxy)heptane-2,5-diol
CID 106992811
pentan-3-ol
CID 11428
hexan-3-ol;λ2-plumbane
CID 174675580

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypentylperoxy)pentan-3-ol?
The IUPAC name of 1-(3-hydroxypentylperoxy)pentan-3-ol (CID 141103396) is 1-(3-hydroxypentylperoxy)pentan-3-ol.
What is the SMILES notation for 1-(3-hydroxypentylperoxy)pentan-3-ol?
The canonical SMILES for 1-(3-hydroxypentylperoxy)pentan-3-ol is CCC(O)CCOOCCC(O)CC.
What is the InChIKey of 1-(3-hydroxypentylperoxy)pentan-3-ol?
The InChIKey is BLMKTRGVRNSBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4/c1-3-9(11)5-7-13-14-8-6-10(12)4-2/h9-12H,3-8H2,1-2H3.
What are the key properties of 1-(3-hydroxypentylperoxy)pentan-3-ol?
1-(3-hydroxypentylperoxy)pentan-3-ol has a molecular weight of 206.28 g/mol, XLogP of 1.26, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypentylperoxy)pentan-3-ol is sourced from PubChem (CID 141103396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).