(4S)-4-(2,2-dibromoethenyl)-2,2-dimethyl-1,3-dioxolane

C7H10Br2O2 — CID 11129868

IUPAC(4S)-4-(2,2-dibromoethenyl)-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@H](C=C(Br)Br)O1
InChIInChI=1S/C7H10Br2O2/c1-7(2)10-4-5(11-7)3-6(8)9/h3,5H,4H2,1-2H3/t5-/m0/s1
InChIKeyWKBHYHNNGZHWGB-YFKPBYRVSA-N
MW285.96 g/mol
LogP2.77
Rot. Bonds1

About (4S)-4-(2,2-dibromoethenyl)-2,2-dimethyl-1,3-dioxolane

(4S)-4-(2,2-dibromoethenyl)-2,2-dimethyl-1,3-dioxolane (PubChem CID 11129868) has the molecular formula C7H10Br2O2 and a molecular weight of 285.96 g/mol. Its IUPAC name is (4S)-4-(2,2-dibromoethenyl)-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-4-(2,2-dibromoethenyl)-2,2-dimethyl-1,3-dioxolane
PubChem CID11129868
Molecular FormulaC7H10Br2O2
Molecular Weight285.96 g/mol
Exact Mass283.90
IUPAC Name(4S)-4-(2,2-dibromoethenyl)-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@H](C=C(Br)Br)O1
InChIInChI=1S/C7H10Br2O2/c1-7(2)10-4-5(11-7)3-6(8)9/h3,5H,4H2,1-2H3/t5-/m0/s1
InChIKeyWKBHYHNNGZHWGB-YFKPBYRVSA-N
XLogP2.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.96
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2,2-dibromoethenyl)-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4S)-4-(2,2-dibromoethenyl)-2,2-dimethyl-1,3-dioxolane (CID 11129868) is (4S)-4-(2,2-dibromoethenyl)-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4S)-4-(2,2-dibromoethenyl)-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4S)-4-(2,2-dibromoethenyl)-2,2-dimethyl-1,3-dioxolane is CC1(C)OC[C@H](C=C(Br)Br)O1.
What is the InChIKey of (4S)-4-(2,2-dibromoethenyl)-2,2-dimethyl-1,3-dioxolane?
The InChIKey is WKBHYHNNGZHWGB-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10Br2O2/c1-7(2)10-4-5(11-7)3-6(8)9/h3,5H,4H2,1-2H3/t5-/m0/s1.
What are the key properties of (4S)-4-(2,2-dibromoethenyl)-2,2-dimethyl-1,3-dioxolane?
(4S)-4-(2,2-dibromoethenyl)-2,2-dimethyl-1,3-dioxolane has a molecular weight of 285.96 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2,2-dibromoethenyl)-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 11129868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).