(3R)-3-(2-bromo-1-ethoxyethoxy)hept-1-ene

C11H21BrO2 — CID 56945377

IUPAC(3R)-3-(2-bromo-1-ethoxyethoxy)hept-1-ene
SMILESC=C[C@@H](CCCC)OC(CBr)OCC
InChIInChI=1S/C11H21BrO2/c1-4-7-8-10(5-2)14-11(9-12)13-6-3/h5,10-11H,2,4,6-9H2,1,3H3/t10-,11?/m0/s1
InChIKeyIJTJXZNYNRLLDQ-VUWPPUDQSA-N
MW265.19 g/mol
LogP3.51
Rot. Bonds9

About (3R)-3-(2-bromo-1-ethoxyethoxy)hept-1-ene

(3R)-3-(2-bromo-1-ethoxyethoxy)hept-1-ene (PubChem CID 56945377) has the molecular formula C11H21BrO2 and a molecular weight of 265.19 g/mol. Its IUPAC name is (3R)-3-(2-bromo-1-ethoxyethoxy)hept-1-ene.

Molecular Properties

Compound Name(3R)-3-(2-bromo-1-ethoxyethoxy)hept-1-ene
PubChem CID56945377
Molecular FormulaC11H21BrO2
Molecular Weight265.19 g/mol
Exact Mass264.07
IUPAC Name(3R)-3-(2-bromo-1-ethoxyethoxy)hept-1-ene
SMILESC=C[C@@H](CCCC)OC(CBr)OCC
InChIInChI=1S/C11H21BrO2/c1-4-7-8-10(5-2)14-11(9-12)13-6-3/h5,10-11H,2,4,6-9H2,1,3H3/t10-,11?/m0/s1
InChIKeyIJTJXZNYNRLLDQ-VUWPPUDQSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-(2-bromo-1-ethoxyethoxy)hept-1-ene?
The IUPAC name of (3R)-3-(2-bromo-1-ethoxyethoxy)hept-1-ene (CID 56945377) is (3R)-3-(2-bromo-1-ethoxyethoxy)hept-1-ene.
What is the SMILES notation for (3R)-3-(2-bromo-1-ethoxyethoxy)hept-1-ene?
The canonical SMILES for (3R)-3-(2-bromo-1-ethoxyethoxy)hept-1-ene is C=C[C@@H](CCCC)OC(CBr)OCC.
What is the InChIKey of (3R)-3-(2-bromo-1-ethoxyethoxy)hept-1-ene?
The InChIKey is IJTJXZNYNRLLDQ-VUWPPUDQSA-N. The full InChI is InChI=1S/C11H21BrO2/c1-4-7-8-10(5-2)14-11(9-12)13-6-3/h5,10-11H,2,4,6-9H2,1,3H3/t10-,11?/m0/s1.
What are the key properties of (3R)-3-(2-bromo-1-ethoxyethoxy)hept-1-ene?
(3R)-3-(2-bromo-1-ethoxyethoxy)hept-1-ene has a molecular weight of 265.19 g/mol, XLogP of 3.51, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-bromo-1-ethoxyethoxy)hept-1-ene is sourced from PubChem (CID 56945377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).