(4R)-1-bromo-4-(methoxymethoxy)octa-1,2-diene

C10H17BrO2 — CID 15416760

IUPAC(4R)-1-bromo-4-(methoxymethoxy)octa-1,2-diene
SMILESCCCC[C@H](C=C=CBr)OCOC
InChIInChI=1S/C10H17BrO2/c1-3-4-6-10(7-5-8-11)13-9-12-2/h7-8,10H,3-4,6,9H2,1-2H3/t5?,10-/m1/s1
InChIKeyWXSLNKYEBUPVOO-URYLQHRCSA-N
MW249.15 g/mol
LogP3.23
Rot. Bonds7

About (4R)-1-bromo-4-(methoxymethoxy)octa-1,2-diene

(4R)-1-bromo-4-(methoxymethoxy)octa-1,2-diene (PubChem CID 15416760) has the molecular formula C10H17BrO2 and a molecular weight of 249.15 g/mol. Its IUPAC name is (4R)-1-bromo-4-(methoxymethoxy)octa-1,2-diene.

Molecular Properties

Compound Name(4R)-1-bromo-4-(methoxymethoxy)octa-1,2-diene
PubChem CID15416760
Molecular FormulaC10H17BrO2
Molecular Weight249.15 g/mol
Exact Mass248.04
IUPAC Name(4R)-1-bromo-4-(methoxymethoxy)octa-1,2-diene
SMILESCCCC[C@H](C=C=CBr)OCOC
InChIInChI=1S/C10H17BrO2/c1-3-4-6-10(7-5-8-11)13-9-12-2/h7-8,10H,3-4,6,9H2,1-2H3/t5?,10-/m1/s1
InChIKeyWXSLNKYEBUPVOO-URYLQHRCSA-N
XLogP3.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.15
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-bromo-4-(methoxymethoxy)octa-1,2-diene?
The IUPAC name of (4R)-1-bromo-4-(methoxymethoxy)octa-1,2-diene (CID 15416760) is (4R)-1-bromo-4-(methoxymethoxy)octa-1,2-diene.
What is the SMILES notation for (4R)-1-bromo-4-(methoxymethoxy)octa-1,2-diene?
The canonical SMILES for (4R)-1-bromo-4-(methoxymethoxy)octa-1,2-diene is CCCC[C@H](C=C=CBr)OCOC.
What is the InChIKey of (4R)-1-bromo-4-(methoxymethoxy)octa-1,2-diene?
The InChIKey is WXSLNKYEBUPVOO-URYLQHRCSA-N. The full InChI is InChI=1S/C10H17BrO2/c1-3-4-6-10(7-5-8-11)13-9-12-2/h7-8,10H,3-4,6,9H2,1-2H3/t5?,10-/m1/s1.
What are the key properties of (4R)-1-bromo-4-(methoxymethoxy)octa-1,2-diene?
(4R)-1-bromo-4-(methoxymethoxy)octa-1,2-diene has a molecular weight of 249.15 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-bromo-4-(methoxymethoxy)octa-1,2-diene is sourced from PubChem (CID 15416760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).