(2E)-2-benzylidene-4-(bromomethyl)-1,3-dioxolane

C11H11BrO2 — CID 134858764

IUPAC(2E)-2-benzylidene-4-(bromomethyl)-1,3-dioxolane
SMILESBrCC1CO/C(=C\c2ccccc2)O1
InChIInChI=1S/C11H11BrO2/c12-7-10-8-13-11(14-10)6-9-4-2-1-3-5-9/h1-6,10H,7-8H2/b11-6+
InChIKeyCQCHSNFOVJPKMH-IZZDOVSWSA-N
MW255.11 g/mol
LogP2.80
Rot. Bonds2

About (2E)-2-benzylidene-4-(bromomethyl)-1,3-dioxolane

(2E)-2-benzylidene-4-(bromomethyl)-1,3-dioxolane (PubChem CID 134858764) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is (2E)-2-benzylidene-4-(bromomethyl)-1,3-dioxolane.

Molecular Properties

Compound Name(2E)-2-benzylidene-4-(bromomethyl)-1,3-dioxolane
PubChem CID134858764
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Name(2E)-2-benzylidene-4-(bromomethyl)-1,3-dioxolane
SMILESBrCC1CO/C(=C\c2ccccc2)O1
InChIInChI=1S/C11H11BrO2/c12-7-10-8-13-11(14-10)6-9-4-2-1-3-5-9/h1-6,10H,7-8H2/b11-6+
InChIKeyCQCHSNFOVJPKMH-IZZDOVSWSA-N
XLogP2.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5R)-3-benzylidene-5-methyl-1,4-dioxan-2-one
CID 134855366
3-(bromomethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine
CID 90273101
3-(bromomethyl)-6,7-dichloro-2,3-dihydro-1,4-benzodioxine
CID 13084419
3-(4-bromobutyl)-2,3-dihydro-1,4-benzodioxine
CID 70485741
3-(bromomethyl)-6-methoxy-2,3-dihydro-1,4-benzodioxine
CID 10658909
ethane;3-ethyl-2,3-dihydro-1,4-benzodioxine
CID 54339181
(2S,5R)-2-(bromomethyl)-5-phenyloxolane
CID 23247977
(2R)-2-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]oxirane
CID 129392534
(3R,3aR,5Z)-5-benzylidene-3-hydroxy-7-phenyl-3,3a-dihydro-2H-furo[3,2-b]pyran-6-one
CID 132599077
(2R,3S,5S)-5-(bromomethyl)-2,3-diphenyloxolane
CID 125472906
3-benzylidene-4-methyloxolane
CID 11725420
(E)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylprop-2-enamide
CID 5337464

Frequently Asked Questions

What is the IUPAC name of (2E)-2-benzylidene-4-(bromomethyl)-1,3-dioxolane?
The IUPAC name of (2E)-2-benzylidene-4-(bromomethyl)-1,3-dioxolane (CID 134858764) is (2E)-2-benzylidene-4-(bromomethyl)-1,3-dioxolane.
What is the SMILES notation for (2E)-2-benzylidene-4-(bromomethyl)-1,3-dioxolane?
The canonical SMILES for (2E)-2-benzylidene-4-(bromomethyl)-1,3-dioxolane is BrCC1CO/C(=C\c2ccccc2)O1.
What is the InChIKey of (2E)-2-benzylidene-4-(bromomethyl)-1,3-dioxolane?
The InChIKey is CQCHSNFOVJPKMH-IZZDOVSWSA-N. The full InChI is InChI=1S/C11H11BrO2/c12-7-10-8-13-11(14-10)6-9-4-2-1-3-5-9/h1-6,10H,7-8H2/b11-6+.
What are the key properties of (2E)-2-benzylidene-4-(bromomethyl)-1,3-dioxolane?
(2E)-2-benzylidene-4-(bromomethyl)-1,3-dioxolane has a molecular weight of 255.11 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-benzylidene-4-(bromomethyl)-1,3-dioxolane is sourced from PubChem (CID 134858764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).