2-butyl-6-propylnaphthalene

C17H22 — CID 58232616

IUPAC2-butyl-6-propylnaphthalene
SMILESCCCCc1ccc2cc(CCC)ccc2c1
InChIInChI=1S/C17H22/c1-3-5-7-15-9-11-16-12-14(6-4-2)8-10-17(16)13-15/h8-13H,3-7H2,1-2H3
InChIKeyVFHMECCXXVWSDK-UHFFFAOYSA-N
MW226.36 g/mol
LogP5.13
Rot. Bonds5

About 2-butyl-6-propylnaphthalene

2-butyl-6-propylnaphthalene (PubChem CID 58232616) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-butyl-6-propylnaphthalene.

Molecular Properties

Compound Name2-butyl-6-propylnaphthalene
PubChem CID58232616
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Name2-butyl-6-propylnaphthalene
SMILESCCCCc1ccc2cc(CCC)ccc2c1
InChIInChI=1S/C17H22/c1-3-5-7-15-9-11-16-12-14(6-4-2)8-10-17(16)13-15/h8-13H,3-7H2,1-2H3
InChIKeyVFHMECCXXVWSDK-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.36
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-butyl-6-propylnaphthalene;propane
CID 123540121
2-butylpentacene
CID 172754039
2-butyltetracene
CID 177478805
2-butyl-6-[2-(4-propylphenyl)ethynyl]naphthalene
CID 19912364
6,16-bis[2-(4-butylphenyl)ethyl]pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene
CID 168727375
ethane;2-hexylnaphthalene
CID 142191207
2-octylanthracene
CID 23131226
2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-6-pentylnaphthalene
CID 139862213
ethane;6-propylnaphthalen-2-ol
CID 171088500
2-butyl-6-[2-(4-pentylphenyl)ethynyl]naphthalene
CID 19912701
trimethyl-(6-pentylnaphthalen-2-yl)silane
CID 132535559
7,20-dipentylhexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2,4(9),5,7,10,12,15,17(22),18,20,23,25-tridecaene
CID 58411397

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-propylnaphthalene?
The IUPAC name of 2-butyl-6-propylnaphthalene (CID 58232616) is 2-butyl-6-propylnaphthalene.
What is the SMILES notation for 2-butyl-6-propylnaphthalene?
The canonical SMILES for 2-butyl-6-propylnaphthalene is CCCCc1ccc2cc(CCC)ccc2c1.
What is the InChIKey of 2-butyl-6-propylnaphthalene?
The InChIKey is VFHMECCXXVWSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22/c1-3-5-7-15-9-11-16-12-14(6-4-2)8-10-17(16)13-15/h8-13H,3-7H2,1-2H3.
What are the key properties of 2-butyl-6-propylnaphthalene?
2-butyl-6-propylnaphthalene has a molecular weight of 226.36 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-propylnaphthalene is sourced from PubChem (CID 58232616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).