2-(4-ethylphenyl)-5-(4-pentylcyclohexyl)oxane

C24H38O — CID 58620441

IUPAC2-(4-ethylphenyl)-5-(4-pentylcyclohexyl)oxane
SMILESCCCCCC1CCC(C2CCC(c3ccc(CC)cc3)OC2)CC1
InChIInChI=1S/C24H38O/c1-3-5-6-7-20-10-12-21(13-11-20)23-16-17-24(25-18-23)22-14-8-19(4-2)9-15-22/h8-9,14-15,20-21,23-24H,3-7,10-13,16-18H2,1-2H3
InChIKeyQKIBSVNGRFSQNQ-UHFFFAOYSA-N
MW342.57 g/mol
LogP7.10
Rot. Bonds7

About 2-(4-ethylphenyl)-5-(4-pentylcyclohexyl)oxane

2-(4-ethylphenyl)-5-(4-pentylcyclohexyl)oxane (PubChem CID 58620441) has the molecular formula C24H38O and a molecular weight of 342.57 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-5-(4-pentylcyclohexyl)oxane.

Molecular Properties

Compound Name2-(4-ethylphenyl)-5-(4-pentylcyclohexyl)oxane
PubChem CID58620441
Molecular FormulaC24H38O
Molecular Weight342.57 g/mol
Exact Mass342.29
IUPAC Name2-(4-ethylphenyl)-5-(4-pentylcyclohexyl)oxane
SMILESCCCCCC1CCC(C2CCC(c3ccc(CC)cc3)OC2)CC1
InChIInChI=1S/C24H38O/c1-3-5-6-7-20-10-12-21(13-11-20)23-16-17-24(25-18-23)22-14-8-19(4-2)9-15-22/h8-9,14-15,20-21,23-24H,3-7,10-13,16-18H2,1-2H3
InChIKeyQKIBSVNGRFSQNQ-UHFFFAOYSA-N
XLogP7.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.57
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-heptylphenyl)-5-hexyloxane
CID 21247717
5-heptyl-2-(4-heptylphenyl)oxane
CID 21247546
5-(4-pentylcyclohexyl)-2-[4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]phenyl]oxane
CID 123862596
2-(4-chlorophenyl)-5-octyloxane
CID 21247604
(2R,5S)-2-(4-ethylphenyl)-5-hexyl-1,4-dioxane
CID 54540490
2-(4-ethylphenyl)-6-[2-(4-pentylcyclohexyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837443
1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene
CID 20654382
1-ethyl-4-[4-[(4-pentylcyclohexyl)methyl]cyclohexyl]benzene
CID 139724446
2-(4-ethoxyphenyl)-5-octyloxane
CID 21247751
2-(4-ethylphenyl)oxirane
CID 10374595
2-(4-ethoxy-2,3-difluorophenyl)-5-[4-(4-pentylcyclohexyl)cyclohexyl]oxane
CID 67968439
5-butyl-2-(4-fluorophenyl)oxane
CID 21247644

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-5-(4-pentylcyclohexyl)oxane?
The IUPAC name of 2-(4-ethylphenyl)-5-(4-pentylcyclohexyl)oxane (CID 58620441) is 2-(4-ethylphenyl)-5-(4-pentylcyclohexyl)oxane.
What is the SMILES notation for 2-(4-ethylphenyl)-5-(4-pentylcyclohexyl)oxane?
The canonical SMILES for 2-(4-ethylphenyl)-5-(4-pentylcyclohexyl)oxane is CCCCCC1CCC(C2CCC(c3ccc(CC)cc3)OC2)CC1.
What is the InChIKey of 2-(4-ethylphenyl)-5-(4-pentylcyclohexyl)oxane?
The InChIKey is QKIBSVNGRFSQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O/c1-3-5-6-7-20-10-12-21(13-11-20)23-16-17-24(25-18-23)22-14-8-19(4-2)9-15-22/h8-9,14-15,20-21,23-24H,3-7,10-13,16-18H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-5-(4-pentylcyclohexyl)oxane?
2-(4-ethylphenyl)-5-(4-pentylcyclohexyl)oxane has a molecular weight of 342.57 g/mol, XLogP of 7.10, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-5-(4-pentylcyclohexyl)oxane is sourced from PubChem (CID 58620441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).