2-hydroperoxy-1-methoxy-3,3-dimethylpentane

C8H18O3 — CID 21133614

IUPAC2-hydroperoxy-1-methoxy-3,3-dimethylpentane
SMILESCCC(C)(C)C(COC)OO
InChIInChI=1S/C8H18O3/c1-5-8(2,3)7(11-9)6-10-4/h7,9H,5-6H2,1-4H3
InChIKeyAEVWNSKRVYNCKO-UHFFFAOYSA-N
MW162.23 g/mol
LogP1.93
Rot. Bonds5

About 2-hydroperoxy-1-methoxy-3,3-dimethylpentane

2-hydroperoxy-1-methoxy-3,3-dimethylpentane (PubChem CID 21133614) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 2-hydroperoxy-1-methoxy-3,3-dimethylpentane.

Molecular Properties

Compound Name2-hydroperoxy-1-methoxy-3,3-dimethylpentane
PubChem CID21133614
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name2-hydroperoxy-1-methoxy-3,3-dimethylpentane
SMILESCCC(C)(C)C(COC)OO
InChIInChI=1S/C8H18O3/c1-5-8(2,3)7(11-9)6-10-4/h7,9H,5-6H2,1-4H3
InChIKeyAEVWNSKRVYNCKO-UHFFFAOYSA-N
XLogP1.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 51.93
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

3-Ethyl-1,2-dimethoxy-3-methylpentane
CID 18398352
1-Ethoxy-2-hydroperoxy-3,3-dimethylpentane
CID 20580287
1-Ethoxy-2-hydroperoxy-3-methylpentane
CID 20580288
2-Ethoxy-3-hydroperoxy-4,4-dimethylhexane
CID 21133609
2-Hydroperoxy-1-methoxy-3-methylpentane
CID 21133615
1,2-Dimethoxy-4,4-dimethylpentane
CID 59679444
3-Ethyl-2-hydroperoxy-3-methylpentane
CID 90139339
1,2-Dimethoxy-3,3-dimethylpentane
CID 91612373
13-Ethyl-3,13-dimethyl-1,4,7,10-tetraoxacyclotetradecane
CID 118475430
4,4-Dimethyl-1,2-di(propan-2-yloxy)pentane
CID 123238488
2-Hydroperoxy-3,3-dimethylpentane;methane
CID 158916446
2-Methoxy-4,4-dimethyl-1-propoxypentane
CID 160543534

Frequently Asked Questions

What is the IUPAC name of 2-hydroperoxy-1-methoxy-3,3-dimethylpentane?
The IUPAC name of 2-hydroperoxy-1-methoxy-3,3-dimethylpentane (CID 21133614) is 2-hydroperoxy-1-methoxy-3,3-dimethylpentane.
What is the SMILES notation for 2-hydroperoxy-1-methoxy-3,3-dimethylpentane?
The canonical SMILES for 2-hydroperoxy-1-methoxy-3,3-dimethylpentane is CCC(C)(C)C(COC)OO.
What is the InChIKey of 2-hydroperoxy-1-methoxy-3,3-dimethylpentane?
The InChIKey is AEVWNSKRVYNCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3/c1-5-8(2,3)7(11-9)6-10-4/h7,9H,5-6H2,1-4H3.
What are the key properties of 2-hydroperoxy-1-methoxy-3,3-dimethylpentane?
2-hydroperoxy-1-methoxy-3,3-dimethylpentane has a molecular weight of 162.23 g/mol, XLogP of 1.93, 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-3,3-dimethylpentane is sourced from PubChem (CID 21133614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).