2-hydroperoxy-1-methoxy-3-methylpentane

C7H16O3 — CID 21133615

IUPAC2-hydroperoxy-1-methoxy-3-methylpentane
SMILESCCC(C)C(COC)OO
InChIInChI=1S/C7H16O3/c1-4-6(2)7(10-8)5-9-3/h6-8H,4-5H2,1-3H3
InChIKeyJLSVAMCMTNKRBQ-UHFFFAOYSA-N
MW148.20 g/mol
LogP1.54
Rot. Bonds5

About 2-hydroperoxy-1-methoxy-3-methylpentane

2-hydroperoxy-1-methoxy-3-methylpentane (PubChem CID 21133615) has the molecular formula C7H16O3 and a molecular weight of 148.20 g/mol. Its IUPAC name is 2-hydroperoxy-1-methoxy-3-methylpentane.

Molecular Properties

Compound Name2-hydroperoxy-1-methoxy-3-methylpentane
PubChem CID21133615
Molecular FormulaC7H16O3
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name2-hydroperoxy-1-methoxy-3-methylpentane
SMILESCCC(C)C(COC)OO
InChIInChI=1S/C7H16O3/c1-4-6(2)7(10-8)5-9-3/h6-8H,4-5H2,1-3H3
InChIKeyJLSVAMCMTNKRBQ-UHFFFAOYSA-N
XLogP1.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-Methoxy-3-methylpentan-1-ol
CID 14069953
s-Butyl 2-methoxyethanol
CID 79444125
(2S,3S)-2-methoxy-3-methylpentan-1-ol
CID 14069954
3-Ethyl-1,2-dimethoxypentane
CID 18398351
1-Ethoxy-2-hydroperoxy-3,3-dimethylpentane
CID 20580287
1-Ethoxy-2-hydroperoxy-3-methylpentane
CID 20580288
2-Ethoxy-1-hydroperoxy-3-methylbutane
CID 20666601
2-Ethoxy-3-hydroperoxy-4-methylhexane
CID 21133610
2-Hydroperoxy-1-methoxy-3,3-dimethylpentane
CID 21133614
1-(1-Methoxypropan-2-yloxy)-3-methylpentane
CID 89074745
(3R)-2-methoxy-3-methylpentan-1-ol
CID 144566436
1,2-Diethoxy-3-methylpentane
CID 173351190

Frequently Asked Questions

What is the IUPAC name of 2-hydroperoxy-1-methoxy-3-methylpentane?
The IUPAC name of 2-hydroperoxy-1-methoxy-3-methylpentane (CID 21133615) is 2-hydroperoxy-1-methoxy-3-methylpentane.
What is the SMILES notation for 2-hydroperoxy-1-methoxy-3-methylpentane?
The canonical SMILES for 2-hydroperoxy-1-methoxy-3-methylpentane is CCC(C)C(COC)OO.
What is the InChIKey of 2-hydroperoxy-1-methoxy-3-methylpentane?
The InChIKey is JLSVAMCMTNKRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3/c1-4-6(2)7(10-8)5-9-3/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-hydroperoxy-1-methoxy-3-methylpentane?
2-hydroperoxy-1-methoxy-3-methylpentane has a molecular weight of 148.20 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroperoxy-1-methoxy-3-methylpentane is sourced from PubChem (CID 21133615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).