(7E)-7-(bromomethyl)-1,4-dioxaspiro[4.8]tridec-7-ene

C12H19BrO2 — CID 10849980

IUPAC(7E)-7-(bromomethyl)-1,4-dioxaspiro[4.8]tridec-7-ene
SMILESBrC/C1=C/CCCCCC2(C1)OCCO2
InChIInChI=1S/C12H19BrO2/c13-10-11-5-3-1-2-4-6-12(9-11)14-7-8-15-12/h5H,1-4,6-10H2/b11-5+
InChIKeyAPOLXEINTROHJD-VZUCSPMQSA-N
MW275.19 g/mol
LogP3.40
Rot. Bonds1

About (7E)-7-(bromomethyl)-1,4-dioxaspiro[4.8]tridec-7-ene

(7E)-7-(bromomethyl)-1,4-dioxaspiro[4.8]tridec-7-ene (PubChem CID 10849980) has the molecular formula C12H19BrO2 and a molecular weight of 275.19 g/mol. Its IUPAC name is (7E)-7-(bromomethyl)-1,4-dioxaspiro[4.8]tridec-7-ene.

Molecular Properties

Compound Name(7E)-7-(bromomethyl)-1,4-dioxaspiro[4.8]tridec-7-ene
PubChem CID10849980
Molecular FormulaC12H19BrO2
Molecular Weight275.19 g/mol
Exact Mass274.06
IUPAC Name(7E)-7-(bromomethyl)-1,4-dioxaspiro[4.8]tridec-7-ene
SMILESBrC/C1=C/CCCCCC2(C1)OCCO2
InChIInChI=1S/C12H19BrO2/c13-10-11-5-3-1-2-4-6-12(9-11)14-7-8-15-12/h5H,1-4,6-10H2/b11-5+
InChIKeyAPOLXEINTROHJD-VZUCSPMQSA-N
XLogP3.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,5-dioxaspiro[5.5]undec-9-en-10-ylmethanol
CID 176671831
(12E)-1,4-dioxaspiro[4.15]icos-12-ene
CID 11357975
1,4-dioxaspiro[4.5]decane;ethane
CID 143191896
1,4-dioxaspiro[4.4]nonane;ethane
CID 144903922
7-methylidene-1,4-dioxaspiro[4.8]tridecane
CID 10750402
spiro[1,3,4,5,6,7-hexahydronaphthalene-2,2'-1,3-dioxolane]-4a-ylmethanol
CID 567532
(3E)-3-(bromomethyl)cyclodec-3-en-1-one
CID 10800373
1,4-dioxaspiro[4.5]decane;phenylmethanamine
CID 143618966
8a-ethenylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]
CID 102215184
1,4-dioxa-9-azaspiro[4.6]undecan-10-one
CID 146591450
ethane;8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 144926160
8-deuterio-1,4-dioxaspiro[4.5]dec-7-ene
CID 175700300

Frequently Asked Questions

What is the IUPAC name of (7E)-7-(bromomethyl)-1,4-dioxaspiro[4.8]tridec-7-ene?
The IUPAC name of (7E)-7-(bromomethyl)-1,4-dioxaspiro[4.8]tridec-7-ene (CID 10849980) is (7E)-7-(bromomethyl)-1,4-dioxaspiro[4.8]tridec-7-ene.
What is the SMILES notation for (7E)-7-(bromomethyl)-1,4-dioxaspiro[4.8]tridec-7-ene?
The canonical SMILES for (7E)-7-(bromomethyl)-1,4-dioxaspiro[4.8]tridec-7-ene is BrC/C1=C/CCCCCC2(C1)OCCO2.
What is the InChIKey of (7E)-7-(bromomethyl)-1,4-dioxaspiro[4.8]tridec-7-ene?
The InChIKey is APOLXEINTROHJD-VZUCSPMQSA-N. The full InChI is InChI=1S/C12H19BrO2/c13-10-11-5-3-1-2-4-6-12(9-11)14-7-8-15-12/h5H,1-4,6-10H2/b11-5+.
What are the key properties of (7E)-7-(bromomethyl)-1,4-dioxaspiro[4.8]tridec-7-ene?
(7E)-7-(bromomethyl)-1,4-dioxaspiro[4.8]tridec-7-ene has a molecular weight of 275.19 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-7-(bromomethyl)-1,4-dioxaspiro[4.8]tridec-7-ene is sourced from PubChem (CID 10849980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).