[4-(2-ethylperoxyethyl)cyclohexyl]methoxymethylbenzene

C18H28O3 — CID 89289517

IUPAC[4-(2-ethylperoxyethyl)cyclohexyl]methoxymethylbenzene
SMILESCCOOCCC1CCC(COCc2ccccc2)CC1
InChIInChI=1S/C18H28O3/c1-2-20-21-13-12-16-8-10-18(11-9-16)15-19-14-17-6-4-3-5-7-17/h3-7,16,18H,2,8-15H2,1H3
InChIKeyOMDGFDNINYRPAT-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.37
Rot. Bonds9

About [4-(2-ethylperoxyethyl)cyclohexyl]methoxymethylbenzene

[4-(2-ethylperoxyethyl)cyclohexyl]methoxymethylbenzene (PubChem CID 89289517) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is [4-(2-ethylperoxyethyl)cyclohexyl]methoxymethylbenzene.

Molecular Properties

Compound Name[4-(2-ethylperoxyethyl)cyclohexyl]methoxymethylbenzene
PubChem CID89289517
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name[4-(2-ethylperoxyethyl)cyclohexyl]methoxymethylbenzene
SMILESCCOOCCC1CCC(COCc2ccccc2)CC1
InChIInChI=1S/C18H28O3/c1-2-20-21-13-12-16-8-10-18(11-9-16)15-19-14-17-6-4-3-5-7-17/h3-7,16,18H,2,8-15H2,1H3
InChIKeyOMDGFDNINYRPAT-UHFFFAOYSA-N
XLogP4.37
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
2-(cyclopropylmethoxy)ethoxymethylbenzene
CID 54083813
1-(cyclopropylmethoxymethyl)-4-phenylbenzene
CID 59259711
(4-propylcyclohexyl)oxymethylbenzene
CID 147199890
cis-(1R,3S)-3-(phenylmethoxymethyl)cyclopentan-1-amine
CID 86659751
3-[2-(cyclopropylmethoxy)ethoxy]propylbenzene
CID 54112131
5-(phenylmethoxymethyl)cyclooctan-1-one
CID 10900938
2-cyclopropyl-N-(2-phenylmethoxyethyl)ethanamine
CID 130536828
trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine
CID 57481680
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
(213C)ethoxymethylbenzene
CID 87947851
1-(cyclobutylmethoxymethyl)-4-phenylmethoxybenzene
CID 125465491

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylperoxyethyl)cyclohexyl]methoxymethylbenzene?
The IUPAC name of [4-(2-ethylperoxyethyl)cyclohexyl]methoxymethylbenzene (CID 89289517) is [4-(2-ethylperoxyethyl)cyclohexyl]methoxymethylbenzene.
What is the SMILES notation for [4-(2-ethylperoxyethyl)cyclohexyl]methoxymethylbenzene?
The canonical SMILES for [4-(2-ethylperoxyethyl)cyclohexyl]methoxymethylbenzene is CCOOCCC1CCC(COCc2ccccc2)CC1.
What is the InChIKey of [4-(2-ethylperoxyethyl)cyclohexyl]methoxymethylbenzene?
The InChIKey is OMDGFDNINYRPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-2-20-21-13-12-16-8-10-18(11-9-16)15-19-14-17-6-4-3-5-7-17/h3-7,16,18H,2,8-15H2,1H3.
What are the key properties of [4-(2-ethylperoxyethyl)cyclohexyl]methoxymethylbenzene?
[4-(2-ethylperoxyethyl)cyclohexyl]methoxymethylbenzene has a molecular weight of 292.42 g/mol, XLogP of 4.37, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylperoxyethyl)cyclohexyl]methoxymethylbenzene is sourced from PubChem (CID 89289517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).