2-butyl-5-(4-propylphenyl)oxane

C18H28O — CID 21247595

IUPAC2-butyl-5-(4-propylphenyl)oxane
SMILESCCCCC1CCC(c2ccc(CCC)cc2)CO1
InChIInChI=1S/C18H28O/c1-3-5-7-18-13-12-17(14-19-18)16-10-8-15(6-4-2)9-11-16/h8-11,17-18H,3-7,12-14H2,1-2H3
InChIKeyGUGNATOKRSWVGW-UHFFFAOYSA-N
MW260.42 g/mol
LogP5.09
Rot. Bonds6

About 2-butyl-5-(4-propylphenyl)oxane

2-butyl-5-(4-propylphenyl)oxane (PubChem CID 21247595) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 2-butyl-5-(4-propylphenyl)oxane.

Molecular Properties

Compound Name2-butyl-5-(4-propylphenyl)oxane
PubChem CID21247595
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name2-butyl-5-(4-propylphenyl)oxane
SMILESCCCCC1CCC(c2ccc(CCC)cc2)CO1
InChIInChI=1S/C18H28O/c1-3-5-7-18-13-12-17(14-19-18)16-10-8-15(6-4-2)9-11-16/h8-11,17-18H,3-7,12-14H2,1-2H3
InChIKeyGUGNATOKRSWVGW-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

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Related Compounds

2-heptyl-5-(4-octylphenyl)oxane
CID 21247893
2-heptyl-5-(4-heptylphenyl)oxane
CID 21247540
5-(4-ethylphenyl)-2-pentyloxane
CID 21247840
5-(4-methylphenyl)-2-pentyloxane
CID 21248084
2-octyl-5-(4-phenylphenyl)oxane
CID 21247738
5-(4-methylphenyl)-2-propyloxane
CID 21247988
5-(4-ethoxyphenyl)-2-hexyloxane
CID 21247855
5-[4-(4-chlorophenyl)phenyl]-2-octyloxane
CID 21248010
5-[4-[2-(4-methoxycyclohexyl)ethyl]phenyl]-2-propyloxane
CID 58620495
2-[4-(4-propylcyclohexyl)phenyl]-5-(4-propylphenyl)-1,3-dioxane
CID 70410242
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
5-[4-[(2,3-difluoro-4-methoxycyclohexa-1,3-dien-1-yl)oxymethyl]phenyl]-2-pentyloxane;ethane
CID 143889490

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-(4-propylphenyl)oxane?
The IUPAC name of 2-butyl-5-(4-propylphenyl)oxane (CID 21247595) is 2-butyl-5-(4-propylphenyl)oxane.
What is the SMILES notation for 2-butyl-5-(4-propylphenyl)oxane?
The canonical SMILES for 2-butyl-5-(4-propylphenyl)oxane is CCCCC1CCC(c2ccc(CCC)cc2)CO1.
What is the InChIKey of 2-butyl-5-(4-propylphenyl)oxane?
The InChIKey is GUGNATOKRSWVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-3-5-7-18-13-12-17(14-19-18)16-10-8-15(6-4-2)9-11-16/h8-11,17-18H,3-7,12-14H2,1-2H3.
What are the key properties of 2-butyl-5-(4-propylphenyl)oxane?
2-butyl-5-(4-propylphenyl)oxane 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 2-butyl-5-(4-propylphenyl)oxane is sourced from PubChem (CID 21247595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).