2-[(1E,3Z)-5-bromo-4-methylpenta-1,3-dienyl]-2-methyl-1,3-dioxolane

C10H15BrO2 — CID 21160219

IUPAC2-[(1E,3Z)-5-bromo-4-methylpenta-1,3-dienyl]-2-methyl-1,3-dioxolane
SMILESC/C(=C/C=C/C1(C)OCCO1)CBr
InChIInChI=1S/C10H15BrO2/c1-9(8-11)4-3-5-10(2)12-6-7-13-10/h3-5H,6-8H2,1-2H3/b5-3+,9-4-
InChIKeyQLJGIPJPSNBFIF-PVOUKABXSA-N
MW247.13 g/mol
LogP2.65
Rot. Bonds3

About 2-[(1E,3Z)-5-bromo-4-methylpenta-1,3-dienyl]-2-methyl-1,3-dioxolane

2-[(1E,3Z)-5-bromo-4-methylpenta-1,3-dienyl]-2-methyl-1,3-dioxolane (PubChem CID 21160219) has the molecular formula C10H15BrO2 and a molecular weight of 247.13 g/mol. Its IUPAC name is 2-[(1E,3Z)-5-bromo-4-methylpenta-1,3-dienyl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[(1E,3Z)-5-bromo-4-methylpenta-1,3-dienyl]-2-methyl-1,3-dioxolane
PubChem CID21160219
Molecular FormulaC10H15BrO2
Molecular Weight247.13 g/mol
Exact Mass246.03
IUPAC Name2-[(1E,3Z)-5-bromo-4-methylpenta-1,3-dienyl]-2-methyl-1,3-dioxolane
SMILESC/C(=C/C=C/C1(C)OCCO1)CBr
InChIInChI=1S/C10H15BrO2/c1-9(8-11)4-3-5-10(2)12-6-7-13-10/h3-5H,6-8H2,1-2H3/b5-3+,9-4-
InChIKeyQLJGIPJPSNBFIF-PVOUKABXSA-N
XLogP2.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.13
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-Methylene-1,4-dioxaspiro[4.5]deca-6,9-diene
CID 23437389
(S,E)-4-(3-bromoprop-1-en-1-yl)-2,2-dimethyl-1,3-dioxolane
CID 22831650
(3-(2-methyl-1,3-dioxolan-2-yl)phenyl)magnesium bromide, 0.50 M in THF
CID 13634766
4-[(E)-3-bromoprop-1-enyl]-2,2-dimethyl-1,3-dioxolane
CID 15387282
(4S)-4-[(1Z)-3-(bromomethyl)buta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane
CID 15922948
2-(1E,3Z-E)-(5-Bromo-4-methyl-1,3-pentadienyl)-2-methyl-1,3-dioxolane
CID 5368077
2-[(E)-3-Bromo-1-propenyl]-2-methyl-1,3-dioxolane
CID 5368080
2-Methyl-2-[(E)-4-methyl-1,3-pentadienyl]-1,3-dioxolane
CID 5373349
(4S)-4-[(1E,3E)-5-bromopenta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane
CID 11242062
(4-(2-Methyl-1,3-dioxolan-2-yl)phenyl)magnesium bromide
CID 10880069
(S,Z)-4-(3-bromoprop-1-en-1-yl)-2,2-dimethyl-1,3-dioxolane
CID 11390400
2-[(2E,4E,6E)-7-bromo-4-methylhepta-2,4,6-trienyl]-2-methyl-1,3-dioxolane
CID 14495387

Frequently Asked Questions

What is the IUPAC name of 2-[(1E,3Z)-5-bromo-4-methylpenta-1,3-dienyl]-2-methyl-1,3-dioxolane?
The IUPAC name of 2-[(1E,3Z)-5-bromo-4-methylpenta-1,3-dienyl]-2-methyl-1,3-dioxolane (CID 21160219) is 2-[(1E,3Z)-5-bromo-4-methylpenta-1,3-dienyl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[(1E,3Z)-5-bromo-4-methylpenta-1,3-dienyl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-[(1E,3Z)-5-bromo-4-methylpenta-1,3-dienyl]-2-methyl-1,3-dioxolane is C/C(=C/C=C/C1(C)OCCO1)CBr.
What is the InChIKey of 2-[(1E,3Z)-5-bromo-4-methylpenta-1,3-dienyl]-2-methyl-1,3-dioxolane?
The InChIKey is QLJGIPJPSNBFIF-PVOUKABXSA-N. The full InChI is InChI=1S/C10H15BrO2/c1-9(8-11)4-3-5-10(2)12-6-7-13-10/h3-5H,6-8H2,1-2H3/b5-3+,9-4-.
What are the key properties of 2-[(1E,3Z)-5-bromo-4-methylpenta-1,3-dienyl]-2-methyl-1,3-dioxolane?
2-[(1E,3Z)-5-bromo-4-methylpenta-1,3-dienyl]-2-methyl-1,3-dioxolane has a molecular weight of 247.13 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,3Z)-5-bromo-4-methylpenta-1,3-dienyl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 21160219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).