1-cyclobutyloxy-1-cyclopentylperoxy-2-cyclopropyloxy-2-[(2-methylpropan-2-yl)oxy]cyclohexane

C22H38O5 — CID 141115443

IUPAC1-cyclobutyloxy-1-cyclopentylperoxy-2-cyclopropyloxy-2-[(2-methylpropan-2-yl)oxy]cyclohexane
SMILESCC(C)(C)OC1(OC2CC2)CCCCC1(OOC1CCCC1)OC1CCC1
InChIInChI=1S/C22H38O5/c1-20(2,3)26-21(23-18-13-14-18)15-6-7-16-22(21,24-17-11-8-12-17)27-25-19-9-4-5-10-19/h17-19H,4-16H2,1-3H3
InChIKeyDBBAFOBBSLSKOB-UHFFFAOYSA-N
MW382.54 g/mol
LogP5.41
Rot. Bonds8

About 1-cyclobutyloxy-1-cyclopentylperoxy-2-cyclopropyloxy-2-[(2-methylpropan-2-yl)oxy]cyclohexane

1-cyclobutyloxy-1-cyclopentylperoxy-2-cyclopropyloxy-2-[(2-methylpropan-2-yl)oxy]cyclohexane (PubChem CID 141115443) has the molecular formula C22H38O5 and a molecular weight of 382.54 g/mol. Its IUPAC name is 1-cyclobutyloxy-1-cyclopentylperoxy-2-cyclopropyloxy-2-[(2-methylpropan-2-yl)oxy]cyclohexane.

Molecular Properties

Compound Name1-cyclobutyloxy-1-cyclopentylperoxy-2-cyclopropyloxy-2-[(2-methylpropan-2-yl)oxy]cyclohexane
PubChem CID141115443
Molecular FormulaC22H38O5
Molecular Weight382.54 g/mol
Exact Mass382.27
IUPAC Name1-cyclobutyloxy-1-cyclopentylperoxy-2-cyclopropyloxy-2-[(2-methylpropan-2-yl)oxy]cyclohexane
SMILESCC(C)(C)OC1(OC2CC2)CCCCC1(OOC1CCCC1)OC1CCC1
InChIInChI=1S/C22H38O5/c1-20(2,3)26-21(23-18-13-14-18)15-6-7-16-22(21,24-17-11-8-12-17)27-25-19-9-4-5-10-19/h17-19H,4-16H2,1-3H3
InChIKeyDBBAFOBBSLSKOB-UHFFFAOYSA-N
XLogP5.41
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.54
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-cyclohexylperoxy-1-methylcyclohexane
CID 139640231
1-cyclohexylperoxycyclohexan-1-ol
CID 23374611
1-cyclohexyloxy-1-methylcyclohexane
CID 57243949
1,1-bis[(2-methylpropan-2-yl)oxy]cyclopentane
CID 153309122
1-cyclobutyloxy-1-cyclopentyloxy-2-cyclopropyloxycyclohexane
CID 150775421
1-cyclopentyloxycyclohexane-1-carboxylic acid
CID 82236545
1-cyclobutyloxy-1-cyclopropylcyclopentane
CID 141221931
1,1-ditert-butyl-4-tert-butylperoxycyclohexane
CID 151316353
1,1-ditert-butyl-4-(4,4-ditert-butylcyclohexyl)peroxycyclohexane
CID 141008223
1-(bromomethyl)-4-tert-butyl-1-cyclobutyloxycyclohexane
CID 63474775
(4-tert-butyl-1-cyclobutyloxycyclohexyl)methanamine
CID 62383311
1-(1-cycloheptyloxycyclohexyl)-N-methylmethanamine
CID 62110565

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyloxy-1-cyclopentylperoxy-2-cyclopropyloxy-2-[(2-methylpropan-2-yl)oxy]cyclohexane?
The IUPAC name of 1-cyclobutyloxy-1-cyclopentylperoxy-2-cyclopropyloxy-2-[(2-methylpropan-2-yl)oxy]cyclohexane (CID 141115443) is 1-cyclobutyloxy-1-cyclopentylperoxy-2-cyclopropyloxy-2-[(2-methylpropan-2-yl)oxy]cyclohexane.
What is the SMILES notation for 1-cyclobutyloxy-1-cyclopentylperoxy-2-cyclopropyloxy-2-[(2-methylpropan-2-yl)oxy]cyclohexane?
The canonical SMILES for 1-cyclobutyloxy-1-cyclopentylperoxy-2-cyclopropyloxy-2-[(2-methylpropan-2-yl)oxy]cyclohexane is CC(C)(C)OC1(OC2CC2)CCCCC1(OOC1CCCC1)OC1CCC1.
What is the InChIKey of 1-cyclobutyloxy-1-cyclopentylperoxy-2-cyclopropyloxy-2-[(2-methylpropan-2-yl)oxy]cyclohexane?
The InChIKey is DBBAFOBBSLSKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O5/c1-20(2,3)26-21(23-18-13-14-18)15-6-7-16-22(21,24-17-11-8-12-17)27-25-19-9-4-5-10-19/h17-19H,4-16H2,1-3H3.
What are the key properties of 1-cyclobutyloxy-1-cyclopentylperoxy-2-cyclopropyloxy-2-[(2-methylpropan-2-yl)oxy]cyclohexane?
1-cyclobutyloxy-1-cyclopentylperoxy-2-cyclopropyloxy-2-[(2-methylpropan-2-yl)oxy]cyclohexane has a molecular weight of 382.54 g/mol, XLogP of 5.41, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyloxy-1-cyclopentylperoxy-2-cyclopropyloxy-2-[(2-methylpropan-2-yl)oxy]cyclohexane is sourced from PubChem (CID 141115443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).