(E)-1-bromo-7-methoxy-3,7-dimethylnon-2-ene

C12H23BrO — CID 21485250

IUPAC(E)-1-bromo-7-methoxy-3,7-dimethylnon-2-ene
SMILESCCC(C)(CCC/C(C)=C/CBr)OC
InChIInChI=1S/C12H23BrO/c1-5-12(3,14-4)9-6-7-11(2)8-10-13/h8H,5-7,9-10H2,1-4H3/b11-8+
InChIKeyCFGVDGIHHABMMH-DHZHZOJOSA-N
MW263.22 g/mol
LogP4.31
Rot. Bonds7

About (E)-1-bromo-7-methoxy-3,7-dimethylnon-2-ene

(E)-1-bromo-7-methoxy-3,7-dimethylnon-2-ene (PubChem CID 21485250) has the molecular formula C12H23BrO and a molecular weight of 263.22 g/mol. Its IUPAC name is (E)-1-bromo-7-methoxy-3,7-dimethylnon-2-ene.

Molecular Properties

Compound Name(E)-1-bromo-7-methoxy-3,7-dimethylnon-2-ene
PubChem CID21485250
Molecular FormulaC12H23BrO
Molecular Weight263.22 g/mol
Exact Mass262.09
IUPAC Name(E)-1-bromo-7-methoxy-3,7-dimethylnon-2-ene
SMILESCCC(C)(CCC/C(C)=C/CBr)OC
InChIInChI=1S/C12H23BrO/c1-5-12(3,14-4)9-6-7-11(2)8-10-13/h8H,5-7,9-10H2,1-4H3/b11-8+
InChIKeyCFGVDGIHHABMMH-DHZHZOJOSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 (E)-1-bromo-7-methoxy-3,7-dimethylnon-2-ene?
The IUPAC name of (E)-1-bromo-7-methoxy-3,7-dimethylnon-2-ene (CID 21485250) is (E)-1-bromo-7-methoxy-3,7-dimethylnon-2-ene.
What is the SMILES notation for (E)-1-bromo-7-methoxy-3,7-dimethylnon-2-ene?
The canonical SMILES for (E)-1-bromo-7-methoxy-3,7-dimethylnon-2-ene is CCC(C)(CCC/C(C)=C/CBr)OC.
What is the InChIKey of (E)-1-bromo-7-methoxy-3,7-dimethylnon-2-ene?
The InChIKey is CFGVDGIHHABMMH-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H23BrO/c1-5-12(3,14-4)9-6-7-11(2)8-10-13/h8H,5-7,9-10H2,1-4H3/b11-8+.
What are the key properties of (E)-1-bromo-7-methoxy-3,7-dimethylnon-2-ene?
(E)-1-bromo-7-methoxy-3,7-dimethylnon-2-ene has a molecular weight of 263.22 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-bromo-7-methoxy-3,7-dimethylnon-2-ene is sourced from PubChem (CID 21485250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).