7-bromo-2-(methoxymethyl)-3-methylidenehept-1-ene

C10H17BrO — CID 134858184

IUPAC7-bromo-2-(methoxymethyl)-3-methylidenehept-1-ene
SMILESC=C(CCCCBr)C(=C)COC
InChIInChI=1S/C10H17BrO/c1-9(6-4-5-7-11)10(2)8-12-3/h1-2,4-8H2,3H3
InChIKeyFJRDVCFNUXXTKO-UHFFFAOYSA-N
MW233.15 g/mol
LogP3.31
Rot. Bonds7

About 7-bromo-2-(methoxymethyl)-3-methylidenehept-1-ene

7-bromo-2-(methoxymethyl)-3-methylidenehept-1-ene (PubChem CID 134858184) has the molecular formula C10H17BrO and a molecular weight of 233.15 g/mol. Its IUPAC name is 7-bromo-2-(methoxymethyl)-3-methylidenehept-1-ene.

Molecular Properties

Compound Name7-bromo-2-(methoxymethyl)-3-methylidenehept-1-ene
PubChem CID134858184
Molecular FormulaC10H17BrO
Molecular Weight233.15 g/mol
Exact Mass232.05
IUPAC Name7-bromo-2-(methoxymethyl)-3-methylidenehept-1-ene
SMILESC=C(CCCCBr)C(=C)COC
InChIInChI=1S/C10H17BrO/c1-9(6-4-5-7-11)10(2)8-12-3/h1-2,4-8H2,3H3
InChIKeyFJRDVCFNUXXTKO-UHFFFAOYSA-N
XLogP3.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(methoxymethyl)-3-methylidenehept-1-ene?
The IUPAC name of 7-bromo-2-(methoxymethyl)-3-methylidenehept-1-ene (CID 134858184) is 7-bromo-2-(methoxymethyl)-3-methylidenehept-1-ene.
What is the SMILES notation for 7-bromo-2-(methoxymethyl)-3-methylidenehept-1-ene?
The canonical SMILES for 7-bromo-2-(methoxymethyl)-3-methylidenehept-1-ene is C=C(CCCCBr)C(=C)COC.
What is the InChIKey of 7-bromo-2-(methoxymethyl)-3-methylidenehept-1-ene?
The InChIKey is FJRDVCFNUXXTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrO/c1-9(6-4-5-7-11)10(2)8-12-3/h1-2,4-8H2,3H3.
What are the key properties of 7-bromo-2-(methoxymethyl)-3-methylidenehept-1-ene?
7-bromo-2-(methoxymethyl)-3-methylidenehept-1-ene has a molecular weight of 233.15 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(methoxymethyl)-3-methylidenehept-1-ene is sourced from PubChem (CID 134858184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).