(3R)-3-(11-bromoundecyl)cyclopentene

C16H29Br — CID 162400601

IUPAC(3R)-3-(11-bromoundecyl)cyclopentene
SMILESBrCCCCCCCCCCC[C@H]1C=CCC1
InChIInChI=1S/C16H29Br/c17-15-11-7-5-3-1-2-4-6-8-12-16-13-9-10-14-16/h9,13,16H,1-8,10-12,14-15H2/t16-/m0/s1
InChIKeyANISAKAIGLTXBS-INIZCTEOSA-N
MW301.31 g/mol
LogP6.25
Rot. Bonds11

About (3R)-3-(11-bromoundecyl)cyclopentene

(3R)-3-(11-bromoundecyl)cyclopentene (PubChem CID 162400601) has the molecular formula C16H29Br and a molecular weight of 301.31 g/mol. Its IUPAC name is (3R)-3-(11-bromoundecyl)cyclopentene.

Molecular Properties

Compound Name(3R)-3-(11-bromoundecyl)cyclopentene
PubChem CID162400601
Molecular FormulaC16H29Br
Molecular Weight301.31 g/mol
Exact Mass300.15
IUPAC Name(3R)-3-(11-bromoundecyl)cyclopentene
SMILESBrCCCCCCCCCCC[C@H]1C=CCC1
InChIInChI=1S/C16H29Br/c17-15-11-7-5-3-1-2-4-6-8-12-16-13-9-10-14-16/h9,13,16H,1-8,10-12,14-15H2/t16-/m0/s1
InChIKeyANISAKAIGLTXBS-INIZCTEOSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.31
LogP ≤ 56.25
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(11-bromoundecyl)cyclopentene?
The IUPAC name of (3R)-3-(11-bromoundecyl)cyclopentene (CID 162400601) is (3R)-3-(11-bromoundecyl)cyclopentene.
What is the SMILES notation for (3R)-3-(11-bromoundecyl)cyclopentene?
The canonical SMILES for (3R)-3-(11-bromoundecyl)cyclopentene is BrCCCCCCCCCCC[C@H]1C=CCC1.
What is the InChIKey of (3R)-3-(11-bromoundecyl)cyclopentene?
The InChIKey is ANISAKAIGLTXBS-INIZCTEOSA-N. The full InChI is InChI=1S/C16H29Br/c17-15-11-7-5-3-1-2-4-6-8-12-16-13-9-10-14-16/h9,13,16H,1-8,10-12,14-15H2/t16-/m0/s1.
What are the key properties of (3R)-3-(11-bromoundecyl)cyclopentene?
(3R)-3-(11-bromoundecyl)cyclopentene has a molecular weight of 301.31 g/mol, XLogP of 6.25, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(11-bromoundecyl)cyclopentene is sourced from PubChem (CID 162400601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).