2-bromobutane;2-(bromomethyl)naphthalene

C15H18Br2 — CID 145476439

IUPAC2-bromobutane;2-(bromomethyl)naphthalene
SMILESBrCc1ccc2ccccc2c1.CCC(C)Br
InChIInChI=1S/C11H9Br.C4H9Br/c12-8-9-5-6-10-3-1-2-4-11(10)7-9;1-3-4(2)5/h1-7H,8H2;4H,3H2,1-2H3
InChIKeyYENIRBXONYTKTL-UHFFFAOYSA-N
MW358.12 g/mol
LogP5.91
Rot. Bonds2

About 2-bromobutane;2-(bromomethyl)naphthalene

2-bromobutane;2-(bromomethyl)naphthalene (PubChem CID 145476439) has the molecular formula C15H18Br2 and a molecular weight of 358.12 g/mol. Its IUPAC name is 2-bromobutane;2-(bromomethyl)naphthalene.

Molecular Properties

Compound Name2-bromobutane;2-(bromomethyl)naphthalene
PubChem CID145476439
Molecular FormulaC15H18Br2
Molecular Weight358.12 g/mol
Exact Mass355.98
IUPAC Name2-bromobutane;2-(bromomethyl)naphthalene
SMILESBrCc1ccc2ccccc2c1.CCC(C)Br
InChIInChI=1S/C11H9Br.C4H9Br/c12-8-9-5-6-10-3-1-2-4-11(10)7-9;1-3-4(2)5/h1-7H,8H2;4H,3H2,1-2H3
InChIKeyYENIRBXONYTKTL-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.12
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)naphthalene;hydrobromide
CID 158623865
ethane;2-ethylnaphthalene
CID 90684887
2-(2-chlorobutyl)naphthalene
CID 21490588
2-[2-(2-butan-2-ylphenyl)-3-methylbutyl]naphthalene
CID 19927018
3-methyl-N-(naphthalen-2-ylmethyl)pentan-2-amine
CID 54950144
3-ethyl-N-(naphthalen-2-ylmethyl)pentan-2-amine
CID 63843096
2-[[4-(bromomethyl)phenyl]sulfanylmethyl]naphthalene
CID 172559837
2-(bromomethyl)naphthalene;diethyl 2-(naphthalen-2-ylmethyl)propanedioate;diethyl propanedioate
CID 157426488
2-(bromomethyl)-7-methylnaphthalene
CID 13426568
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
CID 15863483
CID 15863483
2-ethylnaphthalene;N-methylmethanamine;hydrochloride
CID 70022653

Frequently Asked Questions

What is the IUPAC name of 2-bromobutane;2-(bromomethyl)naphthalene?
The IUPAC name of 2-bromobutane;2-(bromomethyl)naphthalene (CID 145476439) is 2-bromobutane;2-(bromomethyl)naphthalene.
What is the SMILES notation for 2-bromobutane;2-(bromomethyl)naphthalene?
The canonical SMILES for 2-bromobutane;2-(bromomethyl)naphthalene is BrCc1ccc2ccccc2c1.CCC(C)Br.
What is the InChIKey of 2-bromobutane;2-(bromomethyl)naphthalene?
The InChIKey is YENIRBXONYTKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br.C4H9Br/c12-8-9-5-6-10-3-1-2-4-11(10)7-9;1-3-4(2)5/h1-7H,8H2;4H,3H2,1-2H3.
What are the key properties of 2-bromobutane;2-(bromomethyl)naphthalene?
2-bromobutane;2-(bromomethyl)naphthalene has a molecular weight of 358.12 g/mol, XLogP of 5.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromobutane;2-(bromomethyl)naphthalene is sourced from PubChem (CID 145476439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).