5-(4-ethylphenyl)-2-pentyloxane

C18H28O — CID 21247840

IUPAC5-(4-ethylphenyl)-2-pentyloxane
SMILESCCCCCC1CCC(c2ccc(CC)cc2)CO1
InChIInChI=1S/C18H28O/c1-3-5-6-7-18-13-12-17(14-19-18)16-10-8-15(4-2)9-11-16/h8-11,17-18H,3-7,12-14H2,1-2H3
InChIKeyQRKMHZATACCHIW-UHFFFAOYSA-N
MW260.42 g/mol
LogP5.09
Rot. Bonds6

About 5-(4-ethylphenyl)-2-pentyloxane

5-(4-ethylphenyl)-2-pentyloxane (PubChem CID 21247840) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-2-pentyloxane.

Molecular Properties

Compound Name5-(4-ethylphenyl)-2-pentyloxane
PubChem CID21247840
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name5-(4-ethylphenyl)-2-pentyloxane
SMILESCCCCCC1CCC(c2ccc(CC)cc2)CO1
InChIInChI=1S/C18H28O/c1-3-5-6-7-18-13-12-17(14-19-18)16-10-8-15(4-2)9-11-16/h8-11,17-18H,3-7,12-14H2,1-2H3
InChIKeyQRKMHZATACCHIW-UHFFFAOYSA-N
XLogP5.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.09
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-heptyl-5-(4-octylphenyl)oxane
CID 21247893
2-heptyl-5-(4-heptylphenyl)oxane
CID 21247540
5-(4-methylphenyl)-2-pentyloxane
CID 21248084
2-butyl-5-(4-propylphenyl)oxane
CID 21247595
2-octyl-5-(4-phenylphenyl)oxane
CID 21247738
5-(4-ethoxyphenyl)-2-hexyloxane
CID 21247855
5-[4-(4-chlorophenyl)phenyl]-2-octyloxane
CID 21248010
(2R,5S)-2-(4-ethylphenyl)-5-hexyl-1,4-dioxane
CID 54540490
5-(4-methylphenyl)-2-propyloxane
CID 21247988
5-[4-[(2,3-difluoro-4-methoxycyclohexa-1,3-dien-1-yl)oxymethyl]phenyl]-2-pentyloxane;ethane
CID 143889490
1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene
CID 20654382
1-ethyl-4-[4-[(4-pentylcyclohexyl)methyl]cyclohexyl]benzene
CID 139724446

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-2-pentyloxane?
The IUPAC name of 5-(4-ethylphenyl)-2-pentyloxane (CID 21247840) is 5-(4-ethylphenyl)-2-pentyloxane.
What is the SMILES notation for 5-(4-ethylphenyl)-2-pentyloxane?
The canonical SMILES for 5-(4-ethylphenyl)-2-pentyloxane is CCCCCC1CCC(c2ccc(CC)cc2)CO1.
What is the InChIKey of 5-(4-ethylphenyl)-2-pentyloxane?
The InChIKey is QRKMHZATACCHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-3-5-6-7-18-13-12-17(14-19-18)16-10-8-15(4-2)9-11-16/h8-11,17-18H,3-7,12-14H2,1-2H3.
What are the key properties of 5-(4-ethylphenyl)-2-pentyloxane?
5-(4-ethylphenyl)-2-pentyloxane has a molecular weight of 260.42 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-2-pentyloxane is sourced from PubChem (CID 21247840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).