2-[(E)-3-bromoprop-1-enyl]-2-methyl-1,3-dioxolane

C7H11BrO2 — CID 5368080

IUPAC2-[(E)-3-bromoprop-1-enyl]-2-methyl-1,3-dioxolane
SMILESCC1(/C=C/CBr)OCCO1
InChIInChI=1S/C7H11BrO2/c1-7(3-2-4-8)9-5-6-10-7/h2-3H,4-6H2,1H3/b3-2+
InChIKeyYBDKKPATCFGFNW-NSCUHMNNSA-N
MW207.07 g/mol
LogP1.70
Rot. Bonds2

About 2-[(E)-3-bromoprop-1-enyl]-2-methyl-1,3-dioxolane

2-[(E)-3-bromoprop-1-enyl]-2-methyl-1,3-dioxolane (PubChem CID 5368080) has the molecular formula C7H11BrO2 and a molecular weight of 207.07 g/mol. Its IUPAC name is 2-[(E)-3-bromoprop-1-enyl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[(E)-3-bromoprop-1-enyl]-2-methyl-1,3-dioxolane
PubChem CID5368080
Molecular FormulaC7H11BrO2
Molecular Weight207.07 g/mol
Exact Mass205.99
IUPAC Name2-[(E)-3-bromoprop-1-enyl]-2-methyl-1,3-dioxolane
SMILESCC1(/C=C/CBr)OCCO1
InChIInChI=1S/C7H11BrO2/c1-7(3-2-4-8)9-5-6-10-7/h2-3H,4-6H2,1H3/b3-2+
InChIKeyYBDKKPATCFGFNW-NSCUHMNNSA-N
XLogP1.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.07
LogP ≤ 51.70
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

2,2-bis[(E)-prop-1-enyl]-1,3-dioxolane
CID 135079611
(S,E)-4-(3-bromoprop-1-en-1-yl)-2,2-dimethyl-1,3-dioxolane
CID 22831650
(E)-2-methyl-2-(prop-1-en-1-yl)-1,3-dioxolane
CID 10855469
8-Bromo-1,4-dioxaspiro[4.4]non-6-ene
CID 15565549
2-Methyl-2-prop-1-enyl-1,3-dioxolane
CID 85290576
4-[(E)-3-bromoprop-1-enyl]-2,2-dimethyl-1,3-dioxolane
CID 15387282
(4S)-4-[(E)-2-bromoethenyl]-2,2-dimethyl-1,3-dioxolane
CID 101369065
(4S)-4-[(Z)-2-bromoethenyl]-2,2-dimethyl-1,3-dioxolane
CID 101369068
Methylheptenone ethylene ketal
CID 129805356
2-(1E,3Z-E)-(5-Bromo-4-methyl-1,3-pentadienyl)-2-methyl-1,3-dioxolane
CID 5368077
(4S)-4-[(1E,3E)-5-bromopenta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane
CID 11242062
2-[(1E,3Z)-5-bromo-4-methylpenta-1,3-dienyl]-2-methyl-1,3-dioxolane
CID 21160219

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-bromoprop-1-enyl]-2-methyl-1,3-dioxolane?
The IUPAC name of 2-[(E)-3-bromoprop-1-enyl]-2-methyl-1,3-dioxolane (CID 5368080) is 2-[(E)-3-bromoprop-1-enyl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[(E)-3-bromoprop-1-enyl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-[(E)-3-bromoprop-1-enyl]-2-methyl-1,3-dioxolane is CC1(/C=C/CBr)OCCO1.
What is the InChIKey of 2-[(E)-3-bromoprop-1-enyl]-2-methyl-1,3-dioxolane?
The InChIKey is YBDKKPATCFGFNW-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H11BrO2/c1-7(3-2-4-8)9-5-6-10-7/h2-3H,4-6H2,1H3/b3-2+.
What are the key properties of 2-[(E)-3-bromoprop-1-enyl]-2-methyl-1,3-dioxolane?
2-[(E)-3-bromoprop-1-enyl]-2-methyl-1,3-dioxolane has a molecular weight of 207.07 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-bromoprop-1-enyl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 5368080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).