bromomethylidenecyclopentadecane

C16H29Br — CID 11044819

IUPACbromomethylidenecyclopentadecane
SMILESBrC=C1CCCCCCCCCCCCCC1
InChIInChI=1S/C16H29Br/c17-15-16-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h15H,1-14H2
InChIKeyQPZMXBYOSIYKBN-UHFFFAOYSA-N
MW301.31 g/mol
LogP6.74
Rot. Bonds

About bromomethylidenecyclopentadecane

bromomethylidenecyclopentadecane (PubChem CID 11044819) has the molecular formula C16H29Br and a molecular weight of 301.31 g/mol. Its IUPAC name is bromomethylidenecyclopentadecane.

Molecular Properties

Compound Namebromomethylidenecyclopentadecane
PubChem CID11044819
Molecular FormulaC16H29Br
Molecular Weight301.31 g/mol
Exact Mass300.15
IUPAC Namebromomethylidenecyclopentadecane
SMILESBrC=C1CCCCCCCCCCCCCC1
InChIInChI=1S/C16H29Br/c17-15-16-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h15H,1-14H2
InChIKeyQPZMXBYOSIYKBN-UHFFFAOYSA-N
XLogP6.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.31
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bromomethylidenecyclopentadecane?
The IUPAC name of bromomethylidenecyclopentadecane (CID 11044819) is bromomethylidenecyclopentadecane.
What is the SMILES notation for bromomethylidenecyclopentadecane?
The canonical SMILES for bromomethylidenecyclopentadecane is BrC=C1CCCCCCCCCCCCCC1.
What is the InChIKey of bromomethylidenecyclopentadecane?
The InChIKey is QPZMXBYOSIYKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29Br/c17-15-16-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h15H,1-14H2.
What are the key properties of bromomethylidenecyclopentadecane?
bromomethylidenecyclopentadecane has a molecular weight of 301.31 g/mol, XLogP of 6.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethylidenecyclopentadecane is sourced from PubChem (CID 11044819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).