1-methoxy-1-oxidooxycyclohexane

C7H13O3- — CID 102414242

IUPAC1-methoxy-1-oxidooxycyclohexane
SMILESCOC1(O[O-])CCCCC1
InChIInChI=1S/C7H14O3/c1-9-7(10-8)5-3-2-4-6-7/h8H,2-6H2,1H3/p-1
InChIKeyRUMUVYHILIPQLB-UHFFFAOYSA-M
MW145.18 g/mol
LogP0.59
Rot. Bonds2

About 1-methoxy-1-oxidooxycyclohexane

1-methoxy-1-oxidooxycyclohexane (PubChem CID 102414242) has the molecular formula C7H13O3- and a molecular weight of 145.18 g/mol. Its IUPAC name is 1-methoxy-1-oxidooxycyclohexane.

Molecular Properties

Compound Name1-methoxy-1-oxidooxycyclohexane
PubChem CID102414242
Molecular FormulaC7H13O3-
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name1-methoxy-1-oxidooxycyclohexane
SMILESCOC1(O[O-])CCCCC1
InChIInChI=1S/C7H14O3/c1-9-7(10-8)5-3-2-4-6-7/h8H,2-6H2,1H3/p-1
InChIKeyRUMUVYHILIPQLB-UHFFFAOYSA-M
XLogP0.59
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

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1-tert-butylperoxy-1-methoxycyclohexane
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(1-methoxycyclopentyl)oxy-trimethylsilane
CID 58221009
1-methoxy-1-(1-methoxycyclohexyl)cyclohexane
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1,1-dimethoxycyclobutane;methyl formate
CID 157274522
1-methoxy-1-methylcyclononane
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1-methoxy-1-methylcyclodecane
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1,1,3-trimethoxycycloheptane
CID 86078996
1,1,2,2-tetramethoxycyclohexane
CID 2733429
1-hydroperoxy-1-methylperoxycyclododecane
CID 11118348
(1-dimethylsilyloxycyclohexyl)oxy-dimethylsilane
CID 175598231
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CID 25217623

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-oxidooxycyclohexane?
The IUPAC name of 1-methoxy-1-oxidooxycyclohexane (CID 102414242) is 1-methoxy-1-oxidooxycyclohexane.
What is the SMILES notation for 1-methoxy-1-oxidooxycyclohexane?
The canonical SMILES for 1-methoxy-1-oxidooxycyclohexane is COC1(O[O-])CCCCC1.
What is the InChIKey of 1-methoxy-1-oxidooxycyclohexane?
The InChIKey is RUMUVYHILIPQLB-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H14O3/c1-9-7(10-8)5-3-2-4-6-7/h8H,2-6H2,1H3/p-1.
What are the key properties of 1-methoxy-1-oxidooxycyclohexane?
1-methoxy-1-oxidooxycyclohexane has a molecular weight of 145.18 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-oxidooxycyclohexane is sourced from PubChem (CID 102414242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).