(E)-1-bromo-7-ethoxy-7-ethyl-3-methylnon-2-ene

C14H27BrO — CID 22749853

IUPAC(E)-1-bromo-7-ethoxy-7-ethyl-3-methylnon-2-ene
SMILESCCOC(CC)(CC)CCC/C(C)=C/CBr
InChIInChI=1S/C14H27BrO/c1-5-14(6-2,16-7-3)11-8-9-13(4)10-12-15/h10H,5-9,11-12H2,1-4H3/b13-10+
InChIKeyNHCJHCVVISYVEG-JLHYYAGUSA-N
MW291.27 g/mol
LogP5.09
Rot. Bonds9

About (E)-1-bromo-7-ethoxy-7-ethyl-3-methylnon-2-ene

(E)-1-bromo-7-ethoxy-7-ethyl-3-methylnon-2-ene (PubChem CID 22749853) has the molecular formula C14H27BrO and a molecular weight of 291.27 g/mol. Its IUPAC name is (E)-1-bromo-7-ethoxy-7-ethyl-3-methylnon-2-ene.

Molecular Properties

Compound Name(E)-1-bromo-7-ethoxy-7-ethyl-3-methylnon-2-ene
PubChem CID22749853
Molecular FormulaC14H27BrO
Molecular Weight291.27 g/mol
Exact Mass290.12
IUPAC Name(E)-1-bromo-7-ethoxy-7-ethyl-3-methylnon-2-ene
SMILESCCOC(CC)(CC)CCC/C(C)=C/CBr
InChIInChI=1S/C14H27BrO/c1-5-14(6-2,16-7-3)11-8-9-13(4)10-12-15/h10H,5-9,11-12H2,1-4H3/b13-10+
InChIKeyNHCJHCVVISYVEG-JLHYYAGUSA-N
XLogP5.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.27
LogP ≤ 55.09
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'}

Analyze (E)-1-bromo-7-ethoxy-7-ethyl-3-methylnon-2-ene with MolForge

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

Launch Full Analysis

Related Compounds

1-bromo-6-ethoxy-3,6-dimethylhept-2-ene
CID 54542765
1-bromo-3,7-dimethyl-7-prop-1-ynoxyoct-2-ene
CID 54131908
(E)-1-bromo-3,7-dimethyl-7-prop-1-ynoxyoct-2-ene
CID 21485221
(E)-7-ethoxy-3,7-dimethyloct-2-en-1-ol
CID 5368091
(E,7S,11S)-1-bromo-3,7,11,15-tetramethylhexadec-2-ene
CID 12905050
(E,7R,11R)-1-bromo-3,7,11,15-tetramethylhexadec-2-ene
CID 12905048
(6Z)-1-bromo-3,7,11-trimethyldodeca-2,6,10-triene
CID 88841659
2,2-diethoxy-6,10,14-trimethylpentadec-5-ene
CID 150121386
7-bromo-1,1,2-trichloro-5-methylhepta-1,5-diene
CID 54152054
(E)-8-methoxy-3,8-dimethyldec-2-en-1-ol
CID 22749793
2-(2,6-dimethylnon-6-en-2-yloxy)-N-hydroxyacetamide
CID 76627517
2-ethoxy-2-ethylbutan-1-amine
CID 65051068

Frequently Asked Questions

What is the IUPAC name of (E)-1-bromo-7-ethoxy-7-ethyl-3-methylnon-2-ene?
The IUPAC name of (E)-1-bromo-7-ethoxy-7-ethyl-3-methylnon-2-ene (CID 22749853) is (E)-1-bromo-7-ethoxy-7-ethyl-3-methylnon-2-ene.
What is the SMILES notation for (E)-1-bromo-7-ethoxy-7-ethyl-3-methylnon-2-ene?
The canonical SMILES for (E)-1-bromo-7-ethoxy-7-ethyl-3-methylnon-2-ene is CCOC(CC)(CC)CCC/C(C)=C/CBr.
What is the InChIKey of (E)-1-bromo-7-ethoxy-7-ethyl-3-methylnon-2-ene?
The InChIKey is NHCJHCVVISYVEG-JLHYYAGUSA-N. The full InChI is InChI=1S/C14H27BrO/c1-5-14(6-2,16-7-3)11-8-9-13(4)10-12-15/h10H,5-9,11-12H2,1-4H3/b13-10+.
What are the key properties of (E)-1-bromo-7-ethoxy-7-ethyl-3-methylnon-2-ene?
(E)-1-bromo-7-ethoxy-7-ethyl-3-methylnon-2-ene has a molecular weight of 291.27 g/mol, XLogP of 5.09, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-bromo-7-ethoxy-7-ethyl-3-methylnon-2-ene is sourced from PubChem (CID 22749853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).