2-(bromomethyl)dispiro[2.2.46.23]dodecane

C13H21Br — CID 114821420

IUPAC2-(bromomethyl)dispiro[2.2.46.23]dodecane
SMILESBrCC1CC12CCC1(CCCC1)CC2
InChIInChI=1S/C13H21Br/c14-10-11-9-13(11)7-5-12(6-8-13)3-1-2-4-12/h11H,1-10H2
InChIKeyUFGRPVWEOGLCBB-UHFFFAOYSA-N
MW257.21 g/mol
LogP4.52
Rot. Bonds1

About 2-(bromomethyl)dispiro[2.2.46.23]dodecane

2-(bromomethyl)dispiro[2.2.46.23]dodecane (PubChem CID 114821420) has the molecular formula C13H21Br and a molecular weight of 257.21 g/mol. Its IUPAC name is 2-(bromomethyl)dispiro[2.2.46.23]dodecane.

Molecular Properties

Compound Name2-(bromomethyl)dispiro[2.2.46.23]dodecane
PubChem CID114821420
Molecular FormulaC13H21Br
Molecular Weight257.21 g/mol
Exact Mass256.08
IUPAC Name2-(bromomethyl)dispiro[2.2.46.23]dodecane
SMILESBrCC1CC12CCC1(CCCC1)CC2
InChIInChI=1S/C13H21Br/c14-10-11-9-13(11)7-5-12(6-8-13)3-1-2-4-12/h11H,1-10H2
InChIKeyUFGRPVWEOGLCBB-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 54.52
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 2-(bromomethyl)dispiro[2.2.46.23]dodecane?
The IUPAC name of 2-(bromomethyl)dispiro[2.2.46.23]dodecane (CID 114821420) is 2-(bromomethyl)dispiro[2.2.46.23]dodecane.
What is the SMILES notation for 2-(bromomethyl)dispiro[2.2.46.23]dodecane?
The canonical SMILES for 2-(bromomethyl)dispiro[2.2.46.23]dodecane is BrCC1CC12CCC1(CCCC1)CC2.
What is the InChIKey of 2-(bromomethyl)dispiro[2.2.46.23]dodecane?
The InChIKey is UFGRPVWEOGLCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21Br/c14-10-11-9-13(11)7-5-12(6-8-13)3-1-2-4-12/h11H,1-10H2.
What are the key properties of 2-(bromomethyl)dispiro[2.2.46.23]dodecane?
2-(bromomethyl)dispiro[2.2.46.23]dodecane has a molecular weight of 257.21 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)dispiro[2.2.46.23]dodecane is sourced from PubChem (CID 114821420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).