2-[2-[2-[2-[4-[4-(4-methylphenyl)cyclohexyl]phenoxy]ethoxy]ethoxy]ethoxy]oxane

C30H42O5 — CID 143637417

IUPAC2-[2-[2-[2-[4-[4-(4-methylphenyl)cyclohexyl]phenoxy]ethoxy]ethoxy]ethoxy]oxane
SMILESCc1ccc(C2CCC(c3ccc(OCCOCCOCCOC4CCCCO4)cc3)CC2)cc1
InChIInChI=1S/C30H42O5/c1-24-5-7-25(8-6-24)26-9-11-27(12-10-26)28-13-15-29(16-14-28)33-22-20-31-18-19-32-21-23-35-30-4-2-3-17-34-30/h5-8,13-16,26-27,30H,2-4,9-12,17-23H2,1H3
InChIKeyUDVAIMFWBJAYEF-UHFFFAOYSA-N
MW482.66 g/mol
LogP6.39
Rot. Bonds13

About 2-[2-[2-[2-[4-[4-(4-methylphenyl)cyclohexyl]phenoxy]ethoxy]ethoxy]ethoxy]oxane

2-[2-[2-[2-[4-[4-(4-methylphenyl)cyclohexyl]phenoxy]ethoxy]ethoxy]ethoxy]oxane (PubChem CID 143637417) has the molecular formula C30H42O5 and a molecular weight of 482.66 g/mol. Its IUPAC name is 2-[2-[2-[2-[4-[4-(4-methylphenyl)cyclohexyl]phenoxy]ethoxy]ethoxy]ethoxy]oxane.

Molecular Properties

Compound Name2-[2-[2-[2-[4-[4-(4-methylphenyl)cyclohexyl]phenoxy]ethoxy]ethoxy]ethoxy]oxane
PubChem CID143637417
Molecular FormulaC30H42O5
Molecular Weight482.66 g/mol
Exact Mass482.30
IUPAC Name2-[2-[2-[2-[4-[4-(4-methylphenyl)cyclohexyl]phenoxy]ethoxy]ethoxy]ethoxy]oxane
SMILESCc1ccc(C2CCC(c3ccc(OCCOCCOCCOC4CCCCO4)cc3)CC2)cc1
InChIInChI=1S/C30H42O5/c1-24-5-7-25(8-6-24)26-9-11-27(12-10-26)28-13-15-29(16-14-28)33-22-20-31-18-19-32-21-23-35-30-4-2-3-17-34-30/h5-8,13-16,26-27,30H,2-4,9-12,17-23H2,1H3
InChIKeyUDVAIMFWBJAYEF-UHFFFAOYSA-N
XLogP6.39
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.66
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956
2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane
CID 168915283
2-(2-phenoxyethoxy)oxane
CID 11736193
[4-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]-phenylmethanone
CID 165391674
methyl 4-methylbenzoate;1-(4-methylphenyl)-3-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]propane-1,3-dione;1-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]ethanone
CID 159447558
methyl 4-[2-[2-(oxolan-2-yloxy)ethoxy]ethoxy]benzoate
CID 102002140
5-cyclopropyl-3-[4-[2-[(2S)-oxan-2-yl]oxyethoxy]phenyl]-1,2,4-oxadiazole
CID 99842278
2-[10-(4-methylphenoxy)deca-2,5,8-triynoxy]oxane
CID 19849488
2-[2-(4-bromo-3-methylphenoxy)ethoxy]oxane
CID 67314274
2-[2-[3-(oxan-2-yloxy)propoxy]ethoxy]ethyl 4-methylbenzenesulfonate
CID 177266304
[3-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]methanol
CID 59552355
4-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]butan-1-amine
CID 67378314

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[4-[4-(4-methylphenyl)cyclohexyl]phenoxy]ethoxy]ethoxy]ethoxy]oxane?
The IUPAC name of 2-[2-[2-[2-[4-[4-(4-methylphenyl)cyclohexyl]phenoxy]ethoxy]ethoxy]ethoxy]oxane (CID 143637417) is 2-[2-[2-[2-[4-[4-(4-methylphenyl)cyclohexyl]phenoxy]ethoxy]ethoxy]ethoxy]oxane.
What is the SMILES notation for 2-[2-[2-[2-[4-[4-(4-methylphenyl)cyclohexyl]phenoxy]ethoxy]ethoxy]ethoxy]oxane?
The canonical SMILES for 2-[2-[2-[2-[4-[4-(4-methylphenyl)cyclohexyl]phenoxy]ethoxy]ethoxy]ethoxy]oxane is Cc1ccc(C2CCC(c3ccc(OCCOCCOCCOC4CCCCO4)cc3)CC2)cc1.
What is the InChIKey of 2-[2-[2-[2-[4-[4-(4-methylphenyl)cyclohexyl]phenoxy]ethoxy]ethoxy]ethoxy]oxane?
The InChIKey is UDVAIMFWBJAYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42O5/c1-24-5-7-25(8-6-24)26-9-11-27(12-10-26)28-13-15-29(16-14-28)33-22-20-31-18-19-32-21-23-35-30-4-2-3-17-34-30/h5-8,13-16,26-27,30H,2-4,9-12,17-23H2,1H3.
What are the key properties of 2-[2-[2-[2-[4-[4-(4-methylphenyl)cyclohexyl]phenoxy]ethoxy]ethoxy]ethoxy]oxane?
2-[2-[2-[2-[4-[4-(4-methylphenyl)cyclohexyl]phenoxy]ethoxy]ethoxy]ethoxy]oxane has a molecular weight of 482.66 g/mol, XLogP of 6.39, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[4-[4-(4-methylphenyl)cyclohexyl]phenoxy]ethoxy]ethoxy]ethoxy]oxane is sourced from PubChem (CID 143637417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).