1-(bromomethyl)-3,5,7-trimethyladamantane

C14H23Br — CID 15321812

IUPAC1-(bromomethyl)-3,5,7-trimethyladamantane
SMILESCC12CC3(C)CC(C)(C1)CC(CBr)(C2)C3
InChIInChI=1S/C14H23Br/c1-11-4-12(2)6-13(3,5-11)9-14(7-11,8-12)10-15/h4-10H2,1-3H3
InChIKeyLGMYLERUTRMOFY-UHFFFAOYSA-N
MW271.24 g/mol
LogP4.77
Rot. Bonds1

About 1-(bromomethyl)-3,5,7-trimethyladamantane

1-(bromomethyl)-3,5,7-trimethyladamantane (PubChem CID 15321812) has the molecular formula C14H23Br and a molecular weight of 271.24 g/mol. Its IUPAC name is 1-(bromomethyl)-3,5,7-trimethyladamantane.

Molecular Properties

Compound Name1-(bromomethyl)-3,5,7-trimethyladamantane
PubChem CID15321812
Molecular FormulaC14H23Br
Molecular Weight271.24 g/mol
Exact Mass270.10
IUPAC Name1-(bromomethyl)-3,5,7-trimethyladamantane
SMILESCC12CC3(C)CC(C)(C1)CC(CBr)(C2)C3
InChIInChI=1S/C14H23Br/c1-11-4-12(2)6-13(3,5-11)9-14(7-11,8-12)10-15/h4-10H2,1-3H3
InChIKeyLGMYLERUTRMOFY-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-3,5,7-trimethyladamantane?
The IUPAC name of 1-(bromomethyl)-3,5,7-trimethyladamantane (CID 15321812) is 1-(bromomethyl)-3,5,7-trimethyladamantane.
What is the SMILES notation for 1-(bromomethyl)-3,5,7-trimethyladamantane?
The canonical SMILES for 1-(bromomethyl)-3,5,7-trimethyladamantane is CC12CC3(C)CC(C)(C1)CC(CBr)(C2)C3.
What is the InChIKey of 1-(bromomethyl)-3,5,7-trimethyladamantane?
The InChIKey is LGMYLERUTRMOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23Br/c1-11-4-12(2)6-13(3,5-11)9-14(7-11,8-12)10-15/h4-10H2,1-3H3.
What are the key properties of 1-(bromomethyl)-3,5,7-trimethyladamantane?
1-(bromomethyl)-3,5,7-trimethyladamantane has a molecular weight of 271.24 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-3,5,7-trimethyladamantane is sourced from PubChem (CID 15321812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).