(E)-2-bromo-1-(methoxymethoxy)hept-2-ene

C9H17BrO2 — CID 139030429

IUPAC(E)-2-bromo-1-(methoxymethoxy)hept-2-ene
SMILESCCCC/C=C(/Br)COCOC
InChIInChI=1S/C9H17BrO2/c1-3-4-5-6-9(10)7-12-8-11-2/h6H,3-5,7-8H2,1-2H3/b9-6+
InChIKeyDDPPEEIHTJRMFK-RMKNXTFCSA-N
MW237.14 g/mol
LogP3.08
Rot. Bonds7

About (E)-2-bromo-1-(methoxymethoxy)hept-2-ene

(E)-2-bromo-1-(methoxymethoxy)hept-2-ene (PubChem CID 139030429) has the molecular formula C9H17BrO2 and a molecular weight of 237.14 g/mol. Its IUPAC name is (E)-2-bromo-1-(methoxymethoxy)hept-2-ene.

Molecular Properties

Compound Name(E)-2-bromo-1-(methoxymethoxy)hept-2-ene
PubChem CID139030429
Molecular FormulaC9H17BrO2
Molecular Weight237.14 g/mol
Exact Mass236.04
IUPAC Name(E)-2-bromo-1-(methoxymethoxy)hept-2-ene
SMILESCCCC/C=C(/Br)COCOC
InChIInChI=1S/C9H17BrO2/c1-3-4-5-6-9(10)7-12-8-11-2/h6H,3-5,7-8H2,1-2H3/b9-6+
InChIKeyDDPPEEIHTJRMFK-RMKNXTFCSA-N
XLogP3.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.14
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,6-Octadiene, 1-(methoxymethoxy)-3,7-dimethyl-, (E)-
CID 6365670
(e)-1-(2-Bromo-1-ethoxy-ethoxy)-3,7-dimethyl-2,6-octadiene
CID 13641142
(E)-1-(2-bromo-1-butoxyethoxy)hex-2-ene
CID 12118200
(z)-1-(2-Bromo-1-ethoxyethoxy)-3,7-dimethyl-2,6-octadiene
CID 13641143
(E)-2-bromo-1-(methoxymethoxy)hex-2-ene
CID 139030409
2-Octene, 1-(methoxymethoxy)-, (E)-
CID 5364221
(5E)-2-bromo-4-(methoxymethoxy)hepta-1,5-diene
CID 10263456
(2E)-1-(dimethoxymethoxy)-3,7-dimethylocta-2,6-diene
CID 19366662
1-(Dimethoxymethoxy)-3,7-dimethylocta-2,6-diene
CID 53723198
2-Bromo-1,1,5,5-tetramethoxypent-2-ene
CID 54237980
2-Bromo-1,1-dimethoxypent-2-ene
CID 85829078
(Z)-2-bromo-1,1,5,5-tetramethoxypent-2-ene
CID 88435206

Frequently Asked Questions

What is the IUPAC name of (E)-2-bromo-1-(methoxymethoxy)hept-2-ene?
The IUPAC name of (E)-2-bromo-1-(methoxymethoxy)hept-2-ene (CID 139030429) is (E)-2-bromo-1-(methoxymethoxy)hept-2-ene.
What is the SMILES notation for (E)-2-bromo-1-(methoxymethoxy)hept-2-ene?
The canonical SMILES for (E)-2-bromo-1-(methoxymethoxy)hept-2-ene is CCCC/C=C(/Br)COCOC.
What is the InChIKey of (E)-2-bromo-1-(methoxymethoxy)hept-2-ene?
The InChIKey is DDPPEEIHTJRMFK-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H17BrO2/c1-3-4-5-6-9(10)7-12-8-11-2/h6H,3-5,7-8H2,1-2H3/b9-6+.
What are the key properties of (E)-2-bromo-1-(methoxymethoxy)hept-2-ene?
(E)-2-bromo-1-(methoxymethoxy)hept-2-ene has a molecular weight of 237.14 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-bromo-1-(methoxymethoxy)hept-2-ene is sourced from PubChem (CID 139030429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).