1-(2-bromodecyl)naphthalene

C20H27Br — CID 65428546

IUPAC1-(2-bromodecyl)naphthalene
SMILESCCCCCCCCC(Br)Cc1cccc2ccccc12
InChIInChI=1S/C20H27Br/c1-2-3-4-5-6-7-14-19(21)16-18-13-10-12-17-11-8-9-15-20(17)18/h8-13,15,19H,2-7,14,16H2,1H3
InChIKeyJKKMHOKATDUMBU-UHFFFAOYSA-N
MW347.34 g/mol
LogP6.90
Rot. Bonds9

About 1-(2-bromodecyl)naphthalene

1-(2-bromodecyl)naphthalene (PubChem CID 65428546) has the molecular formula C20H27Br and a molecular weight of 347.34 g/mol. Its IUPAC name is 1-(2-bromodecyl)naphthalene.

Molecular Properties

Compound Name1-(2-bromodecyl)naphthalene
PubChem CID65428546
Molecular FormulaC20H27Br
Molecular Weight347.34 g/mol
Exact Mass346.13
IUPAC Name1-(2-bromodecyl)naphthalene
SMILESCCCCCCCCC(Br)Cc1cccc2ccccc12
InChIInChI=1S/C20H27Br/c1-2-3-4-5-6-7-14-19(21)16-18-13-10-12-17-11-8-9-15-20(17)18/h8-13,15,19H,2-7,14,16H2,1H3
InChIKeyJKKMHOKATDUMBU-UHFFFAOYSA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.34
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylhexadecyl)naphthalene
CID 139758361
1-naphthalen-1-ylnonan-2-ol
CID 19902465
1-(2-bromooctyl)-2-methoxybenzene
CID 114753891
2-bromotridecylbenzene
CID 65427778
1-tetradecylnaphthalene
CID 14402128
1-(2-bromodecyl)-2-nitrobenzene
CID 65428547
(2R)-N-(naphthalen-1-ylmethyl)octan-2-amine
CID 7322198
potassium;hydride;1-octylnaphthalene
CID 173443599
1-hexadecan-6-ylnaphthalene
CID 14029925
1-tetracosan-9-ylnaphthalene
CID 175897855
heptane;phenanthrene
CID 157482146
2-(2-bromodecyl)pyridine
CID 66452883

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromodecyl)naphthalene?
The IUPAC name of 1-(2-bromodecyl)naphthalene (CID 65428546) is 1-(2-bromodecyl)naphthalene.
What is the SMILES notation for 1-(2-bromodecyl)naphthalene?
The canonical SMILES for 1-(2-bromodecyl)naphthalene is CCCCCCCCC(Br)Cc1cccc2ccccc12.
What is the InChIKey of 1-(2-bromodecyl)naphthalene?
The InChIKey is JKKMHOKATDUMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27Br/c1-2-3-4-5-6-7-14-19(21)16-18-13-10-12-17-11-8-9-15-20(17)18/h8-13,15,19H,2-7,14,16H2,1H3.
What are the key properties of 1-(2-bromodecyl)naphthalene?
1-(2-bromodecyl)naphthalene has a molecular weight of 347.34 g/mol, XLogP of 6.90, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromodecyl)naphthalene is sourced from PubChem (CID 65428546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).