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

C8H15BrO2 — CID 139030409

IUPAC(E)-2-bromo-1-(methoxymethoxy)hex-2-ene
SMILESCCC/C=C(/Br)COCOC
InChIInChI=1S/C8H15BrO2/c1-3-4-5-8(9)6-11-7-10-2/h5H,3-4,6-7H2,1-2H3/b8-5+
InChIKeyULPIIXCZAYJWAP-VMPITWQZSA-N
MW223.11 g/mol
LogP2.69
Rot. Bonds6

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

(E)-2-bromo-1-(methoxymethoxy)hex-2-ene (PubChem CID 139030409) has the molecular formula C8H15BrO2 and a molecular weight of 223.11 g/mol. Its IUPAC name is (E)-2-bromo-1-(methoxymethoxy)hex-2-ene.

Molecular Properties

Compound Name(E)-2-bromo-1-(methoxymethoxy)hex-2-ene
PubChem CID139030409
Molecular FormulaC8H15BrO2
Molecular Weight223.11 g/mol
Exact Mass222.03
IUPAC Name(E)-2-bromo-1-(methoxymethoxy)hex-2-ene
SMILESCCC/C=C(/Br)COCOC
InChIInChI=1S/C8H15BrO2/c1-3-4-5-8(9)6-11-7-10-2/h5H,3-4,6-7H2,1-2H3/b8-5+
InChIKeyULPIIXCZAYJWAP-VMPITWQZSA-N
XLogP2.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.11
LogP ≤ 52.69
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

(2E)-5-Bromo-1-(methoxymethoxy)-2-methyl-2-pentene
CID 11586609
(E)-1-(2-bromo-1-butoxyethoxy)hex-2-ene
CID 12118200
(E)-2-bromo-1-(methoxymethoxy)but-2-ene
CID 139030403
(E)-2-bromo-1-(methoxymethoxy)hept-2-ene
CID 139030429
(5E)-2-bromo-4-(methoxymethoxy)hepta-1,5-diene
CID 10263456
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
(Z)-6-bromo-1,1-diethoxyhex-2-ene
CID 146574513
(Z)-6-bromo-1,1-dipropoxyhex-2-ene
CID 146574515
(E)-6-bromo-1,1-dimethoxyhex-2-ene
CID 146574517
(E)-6-bromo-1,1-dipropoxyhex-2-ene
CID 146574519

Frequently Asked Questions

What is the IUPAC name of (E)-2-bromo-1-(methoxymethoxy)hex-2-ene?
The IUPAC name of (E)-2-bromo-1-(methoxymethoxy)hex-2-ene (CID 139030409) is (E)-2-bromo-1-(methoxymethoxy)hex-2-ene.
What is the SMILES notation for (E)-2-bromo-1-(methoxymethoxy)hex-2-ene?
The canonical SMILES for (E)-2-bromo-1-(methoxymethoxy)hex-2-ene is CCC/C=C(/Br)COCOC.
What is the InChIKey of (E)-2-bromo-1-(methoxymethoxy)hex-2-ene?
The InChIKey is ULPIIXCZAYJWAP-VMPITWQZSA-N. The full InChI is InChI=1S/C8H15BrO2/c1-3-4-5-8(9)6-11-7-10-2/h5H,3-4,6-7H2,1-2H3/b8-5+.
What are the key properties of (E)-2-bromo-1-(methoxymethoxy)hex-2-ene?
(E)-2-bromo-1-(methoxymethoxy)hex-2-ene has a molecular weight of 223.11 g/mol, XLogP of 2.69, 6 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)hex-2-ene is sourced from PubChem (CID 139030409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).