2-butyl-6-propylnaphthalene;propane

C20H30 — CID 123540121

IUPAC2-butyl-6-propylnaphthalene;propane
SMILESCCC.CCCCc1ccc2cc(CCC)ccc2c1
InChIInChI=1S/C17H22.C3H8/c1-3-5-7-15-9-11-16-12-14(6-4-2)8-10-17(16)13-15;1-3-2/h8-13H,3-7H2,1-2H3;3H2,1-2H3
InChIKeyLBAYDIOPJKGHKV-UHFFFAOYSA-N
MW270.46 g/mol
LogP6.55
Rot. Bonds5

About 2-butyl-6-propylnaphthalene;propane

2-butyl-6-propylnaphthalene;propane (PubChem CID 123540121) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-butyl-6-propylnaphthalene;propane.

Molecular Properties

Compound Name2-butyl-6-propylnaphthalene;propane
PubChem CID123540121
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Name2-butyl-6-propylnaphthalene;propane
SMILESCCC.CCCCc1ccc2cc(CCC)ccc2c1
InChIInChI=1S/C17H22.C3H8/c1-3-5-7-15-9-11-16-12-14(6-4-2)8-10-17(16)13-15;1-3-2/h8-13H,3-7H2,1-2H3;3H2,1-2H3
InChIKeyLBAYDIOPJKGHKV-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-butyl-6-propylnaphthalene
CID 58232616
2-butyltetracene
CID 177478805
2-butylpentacene
CID 172754039
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
2-octylanthracene
CID 23131226
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
ethane;2-hexylnaphthalene
CID 142191207
7-octylanthracen-2-amine
CID 87887056
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

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-propylnaphthalene;propane?
The IUPAC name of 2-butyl-6-propylnaphthalene;propane (CID 123540121) is 2-butyl-6-propylnaphthalene;propane.
What is the SMILES notation for 2-butyl-6-propylnaphthalene;propane?
The canonical SMILES for 2-butyl-6-propylnaphthalene;propane is CCC.CCCCc1ccc2cc(CCC)ccc2c1.
What is the InChIKey of 2-butyl-6-propylnaphthalene;propane?
The InChIKey is LBAYDIOPJKGHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22.C3H8/c1-3-5-7-15-9-11-16-12-14(6-4-2)8-10-17(16)13-15;1-3-2/h8-13H,3-7H2,1-2H3;3H2,1-2H3.
What are the key properties of 2-butyl-6-propylnaphthalene;propane?
2-butyl-6-propylnaphthalene;propane has a molecular weight of 270.46 g/mol, XLogP of 6.55, 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;propane is sourced from PubChem (CID 123540121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).