1,1-dihydroperoxydecane

C10H22O4 — CID 54541536

IUPAC1,1-dihydroperoxydecane
SMILESCCCCCCCCCC(OO)OO
InChIInChI=1S/C10H22O4/c1-2-3-4-5-6-7-8-9-10(13-11)14-12/h10-12H,2-9H2,1H3
InChIKeyZDNRNNJTRXQSMM-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.43
Rot. Bonds10

About 1,1-dihydroperoxydecane

1,1-dihydroperoxydecane (PubChem CID 54541536) has the molecular formula C10H22O4 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1,1-dihydroperoxydecane.

Molecular Properties

Compound Name1,1-dihydroperoxydecane
PubChem CID54541536
Molecular FormulaC10H22O4
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name1,1-dihydroperoxydecane
SMILESCCCCCCCCCC(OO)OO
InChIInChI=1S/C10H22O4/c1-2-3-4-5-6-7-8-9-10(13-11)14-12/h10-12H,2-9H2,1H3
InChIKeyZDNRNNJTRXQSMM-UHFFFAOYSA-N
XLogP3.43
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1-dihydroperoxypentane
CID 10820579
1,1-dimethoxytetradecane
CID 13265409
1-acetyloxytetradecyl acetate
CID 88785738
3-hydroperoxyoctane
CID 22268892
1,1-dibutoxyoctane
CID 54557001
1-propanoyloxyoctadecyl propanoate
CID 154386000
1-sulfanyloctan-1-ol
CID 21400591
1-sulfanylheptan-1-ol
CID 10441848
1-icosanoyloxydodecyl icosanoate
CID 121388091
1-pentadecanoyloxyoctyl pentadecanoate
CID 140629767
1-tridecanoyloxyoctyl tridecanoate
CID 121387970
1-icosanoyloxyoctyl icosanoate
CID 140629763

Frequently Asked Questions

What is the IUPAC name of 1,1-dihydroperoxydecane?
The IUPAC name of 1,1-dihydroperoxydecane (CID 54541536) is 1,1-dihydroperoxydecane.
What is the SMILES notation for 1,1-dihydroperoxydecane?
The canonical SMILES for 1,1-dihydroperoxydecane is CCCCCCCCCC(OO)OO.
What is the InChIKey of 1,1-dihydroperoxydecane?
The InChIKey is ZDNRNNJTRXQSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4/c1-2-3-4-5-6-7-8-9-10(13-11)14-12/h10-12H,2-9H2,1H3.
What are the key properties of 1,1-dihydroperoxydecane?
1,1-dihydroperoxydecane has a molecular weight of 206.28 g/mol, XLogP of 3.43, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dihydroperoxydecane is sourced from PubChem (CID 54541536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).