(2S,3R)-3-bromo-2-non-1-en-3-yloxyoxane

C14H25BrO2 — CID 10590665

IUPAC(2S,3R)-3-bromo-2-non-1-en-3-yloxyoxane
SMILESC=CC(CCCCCC)O[C@@H]1OCCC[C@H]1Br
InChIInChI=1S/C14H25BrO2/c1-3-5-6-7-9-12(4-2)17-14-13(15)10-8-11-16-14/h4,12-14H,2-3,5-11H2,1H3/t12?,13-,14+/m1/s1
InChIKeyILSMBSBLHMFQIS-IUZLNWEFSA-N
MW305.26 g/mol
LogP4.43
Rot. Bonds8

About (2S,3R)-3-bromo-2-non-1-en-3-yloxyoxane

(2S,3R)-3-bromo-2-non-1-en-3-yloxyoxane (PubChem CID 10590665) has the molecular formula C14H25BrO2 and a molecular weight of 305.26 g/mol. Its IUPAC name is (2S,3R)-3-bromo-2-non-1-en-3-yloxyoxane.

Molecular Properties

Compound Name(2S,3R)-3-bromo-2-non-1-en-3-yloxyoxane
PubChem CID10590665
Molecular FormulaC14H25BrO2
Molecular Weight305.26 g/mol
Exact Mass304.10
IUPAC Name(2S,3R)-3-bromo-2-non-1-en-3-yloxyoxane
SMILESC=CC(CCCCCC)O[C@@H]1OCCC[C@H]1Br
InChIInChI=1S/C14H25BrO2/c1-3-5-6-7-9-12(4-2)17-14-13(15)10-8-11-16-14/h4,12-14H,2-3,5-11H2,1H3/t12?,13-,14+/m1/s1
InChIKeyILSMBSBLHMFQIS-IUZLNWEFSA-N
XLogP4.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

Analyze (2S,3R)-3-bromo-2-non-1-en-3-yloxyoxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-bromo-2-non-1-en-3-yloxyoxane?
The IUPAC name of (2S,3R)-3-bromo-2-non-1-en-3-yloxyoxane (CID 10590665) is (2S,3R)-3-bromo-2-non-1-en-3-yloxyoxane.
What is the SMILES notation for (2S,3R)-3-bromo-2-non-1-en-3-yloxyoxane?
The canonical SMILES for (2S,3R)-3-bromo-2-non-1-en-3-yloxyoxane is C=CC(CCCCCC)O[C@@H]1OCCC[C@H]1Br.
What is the InChIKey of (2S,3R)-3-bromo-2-non-1-en-3-yloxyoxane?
The InChIKey is ILSMBSBLHMFQIS-IUZLNWEFSA-N. The full InChI is InChI=1S/C14H25BrO2/c1-3-5-6-7-9-12(4-2)17-14-13(15)10-8-11-16-14/h4,12-14H,2-3,5-11H2,1H3/t12?,13-,14+/m1/s1.
What are the key properties of (2S,3R)-3-bromo-2-non-1-en-3-yloxyoxane?
(2S,3R)-3-bromo-2-non-1-en-3-yloxyoxane has a molecular weight of 305.26 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-bromo-2-non-1-en-3-yloxyoxane is sourced from PubChem (CID 10590665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).