(4-tert-butylcyclohexyl) 4-methoxybenzenecarboperoxoate

C18H26O4 — CID 173265506

IUPAC(4-tert-butylcyclohexyl) 4-methoxybenzenecarboperoxoate
SMILESCOc1ccc(C(=O)OOC2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C18H26O4/c1-18(2,3)14-7-11-16(12-8-14)21-22-17(19)13-5-9-15(20-4)10-6-13/h5-6,9-10,14,16H,7-8,11-12H2,1-4H3
InChIKeyJGNUQICGDLDSDX-UHFFFAOYSA-N
MW306.40 g/mol
LogP4.39
Rot. Bonds4

About (4-tert-butylcyclohexyl) 4-methoxybenzenecarboperoxoate

(4-tert-butylcyclohexyl) 4-methoxybenzenecarboperoxoate (PubChem CID 173265506) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl) 4-methoxybenzenecarboperoxoate.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl) 4-methoxybenzenecarboperoxoate
PubChem CID173265506
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name(4-tert-butylcyclohexyl) 4-methoxybenzenecarboperoxoate
SMILESCOc1ccc(C(=O)OOC2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C18H26O4/c1-18(2,3)14-7-11-16(12-8-14)21-22-17(19)13-5-9-15(20-4)10-6-13/h5-6,9-10,14,16H,7-8,11-12H2,1-4H3
InChIKeyJGNUQICGDLDSDX-UHFFFAOYSA-N
XLogP4.39
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(4-tert-butylcyclohexyl) 4-ethoxybenzenecarboperoxoate
CID 173265590
(4-methylcyclohexyl) 4-tert-butylbenzenecarboperoxoate
CID 173266059
bis(4-tert-butylcyclohexyl) ethanediperoxoate
CID 102003397
cyclohexyl 4-tert-butylbenzenecarboperoxoate
CID 173267759
N'-(4-tert-butylcyclohexanecarbonyl)-4-methoxybenzohydrazide
CID 2090870
(4-tert-butylcyclohexyl)oxy (4-tert-butylcyclohexyl)peroxycarbonyl carbonate
CID 10927813
[1-(4-tert-butylcyclohexanecarbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 41307097
cyclopentyl 3,5-dimethoxybenzenecarboperoxoate
CID 173267647
cyclopentyl 4-propan-2-yloxybenzenecarboperoxoate
CID 173265927
(4-tert-butylcyclohexyl) 4-(4-methoxyanilino)-4-oxobutanoate
CID 3908689
cyclopentyl 4-ethylbenzenecarboperoxoate
CID 173266151
(4-butylcyclohexyl) 4-ethylbenzenecarboperoxoate
CID 173267610

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl) 4-methoxybenzenecarboperoxoate?
The IUPAC name of (4-tert-butylcyclohexyl) 4-methoxybenzenecarboperoxoate (CID 173265506) is (4-tert-butylcyclohexyl) 4-methoxybenzenecarboperoxoate.
What is the SMILES notation for (4-tert-butylcyclohexyl) 4-methoxybenzenecarboperoxoate?
The canonical SMILES for (4-tert-butylcyclohexyl) 4-methoxybenzenecarboperoxoate is COc1ccc(C(=O)OOC2CCC(C(C)(C)C)CC2)cc1.
What is the InChIKey of (4-tert-butylcyclohexyl) 4-methoxybenzenecarboperoxoate?
The InChIKey is JGNUQICGDLDSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O4/c1-18(2,3)14-7-11-16(12-8-14)21-22-17(19)13-5-9-15(20-4)10-6-13/h5-6,9-10,14,16H,7-8,11-12H2,1-4H3.
What are the key properties of (4-tert-butylcyclohexyl) 4-methoxybenzenecarboperoxoate?
(4-tert-butylcyclohexyl) 4-methoxybenzenecarboperoxoate has a molecular weight of 306.40 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl) 4-methoxybenzenecarboperoxoate is sourced from PubChem (CID 173265506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).