(4R)-4-(3-bromophenyl)-4-ethenyl-1,3-dioxolane

C11H11BrO2 — CID 125477011

IUPAC(4R)-4-(3-bromophenyl)-4-ethenyl-1,3-dioxolane
SMILESC=C[C@@]1(c2cccc(Br)c2)COCO1
InChIInChI=1S/C11H11BrO2/c1-2-11(7-13-8-14-11)9-4-3-5-10(12)6-9/h2-6H,1,7-8H2/t11-/m0/s1
InChIKeyYDEODIGWTPJEGR-NSHDSACASA-N
MW255.11 g/mol
LogP2.83
Rot. Bonds2

About (4R)-4-(3-bromophenyl)-4-ethenyl-1,3-dioxolane

(4R)-4-(3-bromophenyl)-4-ethenyl-1,3-dioxolane (PubChem CID 125477011) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is (4R)-4-(3-bromophenyl)-4-ethenyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-4-(3-bromophenyl)-4-ethenyl-1,3-dioxolane
PubChem CID125477011
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Name(4R)-4-(3-bromophenyl)-4-ethenyl-1,3-dioxolane
SMILESC=C[C@@]1(c2cccc(Br)c2)COCO1
InChIInChI=1S/C11H11BrO2/c1-2-11(7-13-8-14-11)9-4-3-5-10(12)6-9/h2-6H,1,7-8H2/t11-/m0/s1
InChIKeyYDEODIGWTPJEGR-NSHDSACASA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-bromophenyl)-4-ethenyl-1,3-dioxolane?
The IUPAC name of (4R)-4-(3-bromophenyl)-4-ethenyl-1,3-dioxolane (CID 125477011) is (4R)-4-(3-bromophenyl)-4-ethenyl-1,3-dioxolane.
What is the SMILES notation for (4R)-4-(3-bromophenyl)-4-ethenyl-1,3-dioxolane?
The canonical SMILES for (4R)-4-(3-bromophenyl)-4-ethenyl-1,3-dioxolane is C=C[C@@]1(c2cccc(Br)c2)COCO1.
What is the InChIKey of (4R)-4-(3-bromophenyl)-4-ethenyl-1,3-dioxolane?
The InChIKey is YDEODIGWTPJEGR-NSHDSACASA-N. The full InChI is InChI=1S/C11H11BrO2/c1-2-11(7-13-8-14-11)9-4-3-5-10(12)6-9/h2-6H,1,7-8H2/t11-/m0/s1.
What are the key properties of (4R)-4-(3-bromophenyl)-4-ethenyl-1,3-dioxolane?
(4R)-4-(3-bromophenyl)-4-ethenyl-1,3-dioxolane has a molecular weight of 255.11 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-bromophenyl)-4-ethenyl-1,3-dioxolane is sourced from PubChem (CID 125477011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).