(E)-5-bromo-1-(methoxymethoxy)-2-methylpent-2-ene

C8H15BrO2 — CID 11586609

IUPAC(E)-5-bromo-1-(methoxymethoxy)-2-methylpent-2-ene
SMILESCOCOC/C(C)=C/CCBr
InChIInChI=1S/C8H15BrO2/c1-8(4-3-5-9)6-11-7-10-2/h4H,3,5-7H2,1-2H3/b8-4+
InChIKeyYRRFRPOJAWLBBC-XBXARRHUSA-N
MW223.11 g/mol
LogP2.34
Rot. Bonds6

About (E)-5-bromo-1-(methoxymethoxy)-2-methylpent-2-ene

(E)-5-bromo-1-(methoxymethoxy)-2-methylpent-2-ene (PubChem CID 11586609) has the molecular formula C8H15BrO2 and a molecular weight of 223.11 g/mol. Its IUPAC name is (E)-5-bromo-1-(methoxymethoxy)-2-methylpent-2-ene.

Molecular Properties

Compound Name(E)-5-bromo-1-(methoxymethoxy)-2-methylpent-2-ene
PubChem CID11586609
Molecular FormulaC8H15BrO2
Molecular Weight223.11 g/mol
Exact Mass222.03
IUPAC Name(E)-5-bromo-1-(methoxymethoxy)-2-methylpent-2-ene
SMILESCOCOC/C(C)=C/CCBr
InChIInChI=1S/C8H15BrO2/c1-8(4-3-5-9)6-11-7-10-2/h4H,3,5-7H2,1-2H3/b8-4+
InChIKeyYRRFRPOJAWLBBC-XBXARRHUSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

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CID 57206388
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CID 54337181
(E)-5-bromo-2-methylpent-2-en-1-ol
CID 15258521
[(E)-4-(methoxymethoxy)-3-methylbut-2-enoxy]methylbenzene
CID 11572215
[3-[2-(methoxymethoxy)ethoxy]-2-methylprop-1-enoxy]-trimethylsilane
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(4E)-7-bromo-2,4-dimethylhepta-2,4-diene
CID 122235653
1-(methoxymethoxy)-3,7-dimethylocta-2,6-diene
CID 3018010
(2E,6E,10E,14E)-16-methoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
CID 101334323
4-methyl-5-propoxy-N-propylpent-3-en-1-amine
CID 79598097
(5E,9E)-11-methoxy-6,10-dimethylundeca-5,9-dien-2-one
CID 88828035
(5E,9E)-12-bromo-5,9-dimethyldodeca-5,9-dien-1-ol
CID 11822357
methyl 2-(methoxymethoxy)acetate
CID 11018922

Frequently Asked Questions

What is the IUPAC name of (E)-5-bromo-1-(methoxymethoxy)-2-methylpent-2-ene?
The IUPAC name of (E)-5-bromo-1-(methoxymethoxy)-2-methylpent-2-ene (CID 11586609) is (E)-5-bromo-1-(methoxymethoxy)-2-methylpent-2-ene.
What is the SMILES notation for (E)-5-bromo-1-(methoxymethoxy)-2-methylpent-2-ene?
The canonical SMILES for (E)-5-bromo-1-(methoxymethoxy)-2-methylpent-2-ene is COCOC/C(C)=C/CCBr.
What is the InChIKey of (E)-5-bromo-1-(methoxymethoxy)-2-methylpent-2-ene?
The InChIKey is YRRFRPOJAWLBBC-XBXARRHUSA-N. The full InChI is InChI=1S/C8H15BrO2/c1-8(4-3-5-9)6-11-7-10-2/h4H,3,5-7H2,1-2H3/b8-4+.
What are the key properties of (E)-5-bromo-1-(methoxymethoxy)-2-methylpent-2-ene?
(E)-5-bromo-1-(methoxymethoxy)-2-methylpent-2-ene has a molecular weight of 223.11 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-bromo-1-(methoxymethoxy)-2-methylpent-2-ene is sourced from PubChem (CID 11586609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).