1-hydroperoxy-1-(2-methoxyethoxy)cyclohexane

C9H18O4 — CID 10726344

IUPAC1-hydroperoxy-1-(2-methoxyethoxy)cyclohexane
SMILESCOCCOC1(OO)CCCCC1
InChIInChI=1S/C9H18O4/c1-11-7-8-12-9(13-10)5-3-2-4-6-9/h10H,2-8H2,1H3
InChIKeyWQOQWPOIZYWWOU-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.80
Rot. Bonds5

About 1-hydroperoxy-1-(2-methoxyethoxy)cyclohexane

1-hydroperoxy-1-(2-methoxyethoxy)cyclohexane (PubChem CID 10726344) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-hydroperoxy-1-(2-methoxyethoxy)cyclohexane.

Molecular Properties

Compound Name1-hydroperoxy-1-(2-methoxyethoxy)cyclohexane
PubChem CID10726344
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name1-hydroperoxy-1-(2-methoxyethoxy)cyclohexane
SMILESCOCCOC1(OO)CCCCC1
InChIInChI=1S/C9H18O4/c1-11-7-8-12-9(13-10)5-3-2-4-6-9/h10H,2-8H2,1H3
InChIKeyWQOQWPOIZYWWOU-UHFFFAOYSA-N
XLogP1.80
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
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-hydroperoxy-1-(5-methylhex-5-enoxy)cyclohexane
CID 10680878
1-hydroperoxy-1-methylperoxycyclododecane
CID 11118348
1-(iodomethyl)-1-[2-(2-methoxyethoxy)ethoxy]cyclohexane
CID 114775131
1,1-dipropoxycyclodecane
CID 89439642
1-hydroperoxy-1-(1-hydroperoxycyclopentyl)peroxycyclopentane
CID 12551189
1,1-dibutoxycyclooctane
CID 18791994
1-[1-(2-methoxyethoxy)cyclopentyl]-N-methylmethanamine
CID 62108671
4,4-bis(2-methoxyethoxy)-2,2,6,6-tetramethylpiperidine
CID 56983577
1-[1-[2-(2-methoxyethoxy)ethoxy]cycloheptyl]-N-methylmethanamine
CID 104565674
1-(3-methoxypropoxy)cyclopentane-1-carboxylic acid
CID 114987778
N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methyl]ethanamine
CID 104565648
1,1-dipropoxycyclononane;trimethylphosphane;hydroiodide
CID 175350547

Frequently Asked Questions

What is the IUPAC name of 1-hydroperoxy-1-(2-methoxyethoxy)cyclohexane?
The IUPAC name of 1-hydroperoxy-1-(2-methoxyethoxy)cyclohexane (CID 10726344) is 1-hydroperoxy-1-(2-methoxyethoxy)cyclohexane.
What is the SMILES notation for 1-hydroperoxy-1-(2-methoxyethoxy)cyclohexane?
The canonical SMILES for 1-hydroperoxy-1-(2-methoxyethoxy)cyclohexane is COCCOC1(OO)CCCCC1.
What is the InChIKey of 1-hydroperoxy-1-(2-methoxyethoxy)cyclohexane?
The InChIKey is WQOQWPOIZYWWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-11-7-8-12-9(13-10)5-3-2-4-6-9/h10H,2-8H2,1H3.
What are the key properties of 1-hydroperoxy-1-(2-methoxyethoxy)cyclohexane?
1-hydroperoxy-1-(2-methoxyethoxy)cyclohexane has a molecular weight of 190.24 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroperoxy-1-(2-methoxyethoxy)cyclohexane is sourced from PubChem (CID 10726344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).