1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-propylbenzene

C19H30O2 — CID 22089378

IUPAC1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-propylbenzene
SMILESCCCc1ccc(C(OO)C2CCC(CCC)CC2)cc1
InChIInChI=1S/C19H30O2/c1-3-5-15-7-11-17(12-8-15)19(21-20)18-13-9-16(6-4-2)10-14-18/h7-8,11-12,16,18-20H,3-6,9-10,13-14H2,1-2H3
InChIKeyAXMPLOVCMGZHAU-UHFFFAOYSA-N
MW290.45 g/mol
LogP5.78
Rot. Bonds7

About 1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-propylbenzene

1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-propylbenzene (PubChem CID 22089378) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-propylbenzene.

Molecular Properties

Compound Name1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-propylbenzene
PubChem CID22089378
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-propylbenzene
SMILESCCCc1ccc(C(OO)C2CCC(CCC)CC2)cc1
InChIInChI=1S/C19H30O2/c1-3-5-15-7-11-17(12-8-15)19(21-20)18-13-9-16(6-4-2)10-14-18/h7-8,11-12,16,18-20H,3-6,9-10,13-14H2,1-2H3
InChIKeyAXMPLOVCMGZHAU-UHFFFAOYSA-N
XLogP5.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-pentylbenzene
CID 22089376
1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-propylbenzene
CID 22089375
1-ethoxy-4-[hydroperoxy-(4-propylcyclohexyl)methyl]benzene
CID 58132107
N-methyl-1-(4-propylcyclohexyl)-1-(4-propylphenyl)methanamine
CID 65424733
1-[[4-(4-heptylcyclohexyl)cyclohexyl]-[[4-(4-heptylcyclohexyl)cyclohexyl]-(4-propylphenyl)methoxy]methyl]-4-propylbenzene
CID 57252571
1-propyl-4-[2-[4-[(2R)-1-(4-propylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene
CID 139753533
(4-ethylcyclohexyl)-(4-propylphenyl)methanol
CID 65393723
1-pentyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
CID 173303525
N-[cyclopropyl-(4-propylphenyl)methyl]ethanamine
CID 43491617
1-[(4-butylcyclohexyl)-hydroperoxymethyl]-4-pentylbenzene;4-butyl-2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]benzene;N-[4-[(4-ethylcyclohexyl)-hydroperoxymethyl]-3-fluorophenyl]methanimine;1-[(4-ethylcyclohexyl)-hydroperoxymethyl]-2-fluoro-4-propylbenzene;4-[(4-ethylcyclohexyl)-hydroperoxymethyl]-2-fluoro-1-propylbenzene;4-ethyl-2-fluoro-1-[hydroperoxy-(4-propylcyclohexyl)methyl]benzene;2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-methylbenzene;2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-pentylbenzene;2-fluoro-1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-pentylbenzene;N-[2-fluoro-4-[hydroperoxy-(4-propylcyclohexyl)methyl]phenyl]methanimine;2-fluoro-4-[hydroperoxy-(4-propylcyclohexyl)methyl]-1-propylbenzene;1-hexyl-4-[hydroperoxy-(4-pentylcyclohexyl)methyl]benzene;1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-propylbenzene
CID 162266013
1-[bis[4-(2-cyclopropylethyl)phenyl]methyl]-4-(2-cyclopropylethyl)benzene
CID 156895542
[2-cyclopropyl-2-ethoxy-1-(4-propylphenyl)ethyl]hydrazine
CID 105272997

Frequently Asked Questions

What is the IUPAC name of 1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-propylbenzene?
The IUPAC name of 1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-propylbenzene (CID 22089378) is 1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-propylbenzene.
What is the SMILES notation for 1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-propylbenzene?
The canonical SMILES for 1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-propylbenzene is CCCc1ccc(C(OO)C2CCC(CCC)CC2)cc1.
What is the InChIKey of 1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-propylbenzene?
The InChIKey is AXMPLOVCMGZHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-3-5-15-7-11-17(12-8-15)19(21-20)18-13-9-16(6-4-2)10-14-18/h7-8,11-12,16,18-20H,3-6,9-10,13-14H2,1-2H3.
What are the key properties of 1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-propylbenzene?
1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-propylbenzene has a molecular weight of 290.45 g/mol, XLogP of 5.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-propylbenzene is sourced from PubChem (CID 22089378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).