8-bromo-1-(methoxymethoxy)oct-3-ene

C10H19BrO2 — CID 163204916

IUPAC8-bromo-1-(methoxymethoxy)oct-3-ene
SMILESCOCOCCC=CCCCCBr
InChIInChI=1S/C10H19BrO2/c1-12-10-13-9-7-5-3-2-4-6-8-11/h3,5H,2,4,6-10H2,1H3
InChIKeyNZJRMWKELSGKHX-UHFFFAOYSA-N
MW251.16 g/mol
LogP3.12
Rot. Bonds9

About 8-bromo-1-(methoxymethoxy)oct-3-ene

8-bromo-1-(methoxymethoxy)oct-3-ene (PubChem CID 163204916) has the molecular formula C10H19BrO2 and a molecular weight of 251.16 g/mol. Its IUPAC name is 8-bromo-1-(methoxymethoxy)oct-3-ene.

Molecular Properties

Compound Name8-bromo-1-(methoxymethoxy)oct-3-ene
PubChem CID163204916
Molecular FormulaC10H19BrO2
Molecular Weight251.16 g/mol
Exact Mass250.06
IUPAC Name8-bromo-1-(methoxymethoxy)oct-3-ene
SMILESCOCOCCC=CCCCCBr
InChIInChI=1S/C10H19BrO2/c1-12-10-13-9-7-5-3-2-4-6-8-11/h3,5H,2,4,6-10H2,1H3
InChIKeyNZJRMWKELSGKHX-UHFFFAOYSA-N
XLogP3.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 53.12
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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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-(methoxymethoxy)oct-3-ene?
The IUPAC name of 8-bromo-1-(methoxymethoxy)oct-3-ene (CID 163204916) is 8-bromo-1-(methoxymethoxy)oct-3-ene.
What is the SMILES notation for 8-bromo-1-(methoxymethoxy)oct-3-ene?
The canonical SMILES for 8-bromo-1-(methoxymethoxy)oct-3-ene is COCOCCC=CCCCCBr.
What is the InChIKey of 8-bromo-1-(methoxymethoxy)oct-3-ene?
The InChIKey is NZJRMWKELSGKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO2/c1-12-10-13-9-7-5-3-2-4-6-8-11/h3,5H,2,4,6-10H2,1H3.
What are the key properties of 8-bromo-1-(methoxymethoxy)oct-3-ene?
8-bromo-1-(methoxymethoxy)oct-3-ene has a molecular weight of 251.16 g/mol, XLogP of 3.12, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-(methoxymethoxy)oct-3-ene is sourced from PubChem (CID 163204916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).