2-butyl-1-(2-butylnaphthalen-1-yl)naphthalene

C28H30 — CID 59129933

IUPAC2-butyl-1-(2-butylnaphthalen-1-yl)naphthalene
SMILESCCCCc1ccc2ccccc2c1-c1c(CCCC)ccc2ccccc12
InChIInChI=1S/C28H30/c1-3-5-11-23-19-17-21-13-7-9-15-25(21)27(23)28-24(12-6-4-2)20-18-22-14-8-10-16-26(22)28/h7-10,13-20H,3-6,11-12H2,1-2H3
InChIKeyKWWNFBRGDQEAHS-UHFFFAOYSA-N
MW366.55 g/mol
LogP8.35
Rot. Bonds7

About 2-butyl-1-(2-butylnaphthalen-1-yl)naphthalene

2-butyl-1-(2-butylnaphthalen-1-yl)naphthalene (PubChem CID 59129933) has the molecular formula C28H30 and a molecular weight of 366.55 g/mol. Its IUPAC name is 2-butyl-1-(2-butylnaphthalen-1-yl)naphthalene.

Molecular Properties

Compound Name2-butyl-1-(2-butylnaphthalen-1-yl)naphthalene
PubChem CID59129933
Molecular FormulaC28H30
Molecular Weight366.55 g/mol
Exact Mass366.23
IUPAC Name2-butyl-1-(2-butylnaphthalen-1-yl)naphthalene
SMILESCCCCc1ccc2ccccc2c1-c1c(CCCC)ccc2ccccc12
InChIInChI=1S/C28H30/c1-3-5-11-23-19-17-21-13-7-9-15-25(21)27(23)28-24(12-6-4-2)20-18-22-14-8-10-16-26(22)28/h7-10,13-20H,3-6,11-12H2,1-2H3
InChIKeyKWWNFBRGDQEAHS-UHFFFAOYSA-N
XLogP8.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-propyl-1-(2-propylnaphthalen-1-yl)naphthalene
CID 59336410
1,2-dibutylnaphthalene;naphthalene
CID 157292740
1-butylnaphthalene;ethane
CID 142087052
1-phenyl-2-propylnaphthalene
CID 102463751
8-butylbenzo[e]pyrene
CID 150037437
azane;1-butylnaphthalene;methane
CID 174691035
1,2-di(icosyl)naphthalene
CID 90782201
1-ethyl-2-pentylnaphthalene
CID 173391903
2-pentyl-1-propylnaphthalene
CID 173391876
1,2-didecylnaphthalene
CID 22410831
2-decyl-1-methylnaphthalene
CID 154261310
2-[1-[2-(2-hydroxyethyl)naphthalen-1-yl]naphthalen-2-yl]ethanol
CID 10405122

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-(2-butylnaphthalen-1-yl)naphthalene?
The IUPAC name of 2-butyl-1-(2-butylnaphthalen-1-yl)naphthalene (CID 59129933) is 2-butyl-1-(2-butylnaphthalen-1-yl)naphthalene.
What is the SMILES notation for 2-butyl-1-(2-butylnaphthalen-1-yl)naphthalene?
The canonical SMILES for 2-butyl-1-(2-butylnaphthalen-1-yl)naphthalene is CCCCc1ccc2ccccc2c1-c1c(CCCC)ccc2ccccc12.
What is the InChIKey of 2-butyl-1-(2-butylnaphthalen-1-yl)naphthalene?
The InChIKey is KWWNFBRGDQEAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30/c1-3-5-11-23-19-17-21-13-7-9-15-25(21)27(23)28-24(12-6-4-2)20-18-22-14-8-10-16-26(22)28/h7-10,13-20H,3-6,11-12H2,1-2H3.
What are the key properties of 2-butyl-1-(2-butylnaphthalen-1-yl)naphthalene?
2-butyl-1-(2-butylnaphthalen-1-yl)naphthalene has a molecular weight of 366.55 g/mol, XLogP of 8.35, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(2-butylnaphthalen-1-yl)naphthalene is sourced from PubChem (CID 59129933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).