1,2,3-tributyl-5-methyl-4-propylnaphthalene

C26H40 — CID 139700890

IUPAC1,2,3-tributyl-5-methyl-4-propylnaphthalene
SMILESCCCCc1c(CCCC)c(CCC)c2c(C)cccc2c1CCCC
InChIInChI=1S/C26H40/c1-6-10-16-21-22(17-11-7-2)24(14-9-4)26-20(5)15-13-19-25(26)23(21)18-12-8-3/h13,15,19H,6-12,14,16-18H2,1-5H3
InChIKeyKEXFPBLGADLXSB-UHFFFAOYSA-N
MW352.61 g/mol
LogP8.13
Rot. Bonds11

About 1,2,3-tributyl-5-methyl-4-propylnaphthalene

1,2,3-tributyl-5-methyl-4-propylnaphthalene (PubChem CID 139700890) has the molecular formula C26H40 and a molecular weight of 352.61 g/mol. Its IUPAC name is 1,2,3-tributyl-5-methyl-4-propylnaphthalene.

Molecular Properties

Compound Name1,2,3-tributyl-5-methyl-4-propylnaphthalene
PubChem CID139700890
Molecular FormulaC26H40
Molecular Weight352.61 g/mol
Exact Mass352.31
IUPAC Name1,2,3-tributyl-5-methyl-4-propylnaphthalene
SMILESCCCCc1c(CCCC)c(CCC)c2c(C)cccc2c1CCCC
InChIInChI=1S/C26H40/c1-6-10-16-21-22(17-11-7-2)24(14-9-4)26-20(5)15-13-19-25(26)23(21)18-12-8-3/h13,15,19H,6-12,14,16-18H2,1-5H3
InChIKeyKEXFPBLGADLXSB-UHFFFAOYSA-N
XLogP8.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.61
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,10-dibutylanthracene
CID 605822
1,2,3,4,6,11-hexabutyltetracene
CID 102079773
9-butyl-10-methylanthracene
CID 22754688
2,3-diethyl-1-methyl-4-propylnaphthalene
CID 139700920
CID 90280951
CID 90280951
1,2,3,4,5,6-hexabutylbenzene
CID 12586860
2-butyl-3-methylphenol
CID 174788119
ethane;9-methyl-10-propylanthracene
CID 144649779
69,70,71,72-tetrabutyltridecacyclo[63.3.1.114,18.131,35.148,52.05,68.010,15.017,22.027,32.034,39.044,49.051,56.061,66]doheptaconta-1(69),2,4,10(15),11,13,16,18(72),19,21,27,29,31(71),32,34(39),35,37,44,46,48(70),49,51(56),52,54,61(66),62,64,67-octacosaen-6,8,23,25,40,42,57,59-octayne
CID 101355531
1,3-dimethyl-2-propylbenzene;prop-1-yne
CID 143326143
2-butyl-1-(2-butyl-3-methylphenoxy)-3-methylbenzene
CID 175265756
1,2,3,4-tetrabutylpentacene
CID 22061721

Frequently Asked Questions

What is the IUPAC name of 1,2,3-tributyl-5-methyl-4-propylnaphthalene?
The IUPAC name of 1,2,3-tributyl-5-methyl-4-propylnaphthalene (CID 139700890) is 1,2,3-tributyl-5-methyl-4-propylnaphthalene.
What is the SMILES notation for 1,2,3-tributyl-5-methyl-4-propylnaphthalene?
The canonical SMILES for 1,2,3-tributyl-5-methyl-4-propylnaphthalene is CCCCc1c(CCCC)c(CCC)c2c(C)cccc2c1CCCC.
What is the InChIKey of 1,2,3-tributyl-5-methyl-4-propylnaphthalene?
The InChIKey is KEXFPBLGADLXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40/c1-6-10-16-21-22(17-11-7-2)24(14-9-4)26-20(5)15-13-19-25(26)23(21)18-12-8-3/h13,15,19H,6-12,14,16-18H2,1-5H3.
What are the key properties of 1,2,3-tributyl-5-methyl-4-propylnaphthalene?
1,2,3-tributyl-5-methyl-4-propylnaphthalene has a molecular weight of 352.61 g/mol, XLogP of 8.13, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tributyl-5-methyl-4-propylnaphthalene is sourced from PubChem (CID 139700890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).