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

C11H21BrO2 — CID 134986080

IUPAC(E)-2-(2-bromo-1-ethoxyethoxy)hept-3-ene
SMILESCCC/C=C/C(C)OC(CBr)OCC
InChIInChI=1S/C11H21BrO2/c1-4-6-7-8-10(3)14-11(9-12)13-5-2/h7-8,10-11H,4-6,9H2,1-3H3/b8-7+
InChIKeyYUOJVYMYRQXJAS-BQYQJAHWSA-N
MW265.19 g/mol
LogP3.51
Rot. Bonds8

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

(E)-2-(2-bromo-1-ethoxyethoxy)hept-3-ene (PubChem CID 134986080) has the molecular formula C11H21BrO2 and a molecular weight of 265.19 g/mol. Its IUPAC name is (E)-2-(2-bromo-1-ethoxyethoxy)hept-3-ene.

Molecular Properties

Compound Name(E)-2-(2-bromo-1-ethoxyethoxy)hept-3-ene
PubChem CID134986080
Molecular FormulaC11H21BrO2
Molecular Weight265.19 g/mol
Exact Mass264.07
IUPAC Name(E)-2-(2-bromo-1-ethoxyethoxy)hept-3-ene
SMILESCCC/C=C/C(C)OC(CBr)OCC
InChIInChI=1S/C11H21BrO2/c1-4-6-7-8-10(3)14-11(9-12)13-5-2/h7-8,10-11H,4-6,9H2,1-3H3/b8-7+
InChIKeyYUOJVYMYRQXJAS-BQYQJAHWSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
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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Related Compounds

1,1-Diethoxy-2,6-nonadiene, (2E,6Z)-
CID 6364671
2-Hexenal diethyl acetal, (2E)-
CID 5365137
1,1-Diethoxyhex-2-ene
CID 93366
1,1-Diethoxynona-2,6-diene
CID 105533
1,1-Diethoxy-2,6-nonadiene, (2Z,6Z)-
CID 20838796
2,6-Nonadienal diethyl acetal
CID 6437114
(2Z)-1-(1-Ethoxyethoxy)-2-hexene
CID 20841373
2-Heptene, 1,1-diethoxy-
CID 89392
2-Pentene, 1,1-diethoxy-
CID 6438064
1-(1-Ethoxyethoxy)-2-hexene
CID 552135
3-(2-Bromo-1-ethoxyethoxy)-4-methylpent-1-ene
CID 10514870
(Z)-6-bromo-1,1-di(propan-2-yloxy)hex-3-ene
CID 10967877

Frequently Asked Questions

What is the IUPAC name of (E)-2-(2-bromo-1-ethoxyethoxy)hept-3-ene?
The IUPAC name of (E)-2-(2-bromo-1-ethoxyethoxy)hept-3-ene (CID 134986080) is (E)-2-(2-bromo-1-ethoxyethoxy)hept-3-ene.
What is the SMILES notation for (E)-2-(2-bromo-1-ethoxyethoxy)hept-3-ene?
The canonical SMILES for (E)-2-(2-bromo-1-ethoxyethoxy)hept-3-ene is CCC/C=C/C(C)OC(CBr)OCC.
What is the InChIKey of (E)-2-(2-bromo-1-ethoxyethoxy)hept-3-ene?
The InChIKey is YUOJVYMYRQXJAS-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H21BrO2/c1-4-6-7-8-10(3)14-11(9-12)13-5-2/h7-8,10-11H,4-6,9H2,1-3H3/b8-7+.
What are the key properties of (E)-2-(2-bromo-1-ethoxyethoxy)hept-3-ene?
(E)-2-(2-bromo-1-ethoxyethoxy)hept-3-ene has a molecular weight of 265.19 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2-bromo-1-ethoxyethoxy)hept-3-ene is sourced from PubChem (CID 134986080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).