(4S,5S)-4-(2,2-dibromoethenyl)-2,2,5-trimethyl-1,3-dioxolane

C8H12Br2O2 — CID 134870635

IUPAC(4S,5S)-4-(2,2-dibromoethenyl)-2,2,5-trimethyl-1,3-dioxolane
SMILESC[C@@H]1OC(C)(C)O[C@H]1C=C(Br)Br
InChIInChI=1S/C8H12Br2O2/c1-5-6(4-7(9)10)12-8(2,3)11-5/h4-6H,1-3H3/t5-,6-/m0/s1
InChIKeyUBLBHRPAMIUMCC-WDSKDSINSA-N
MW299.99 g/mol
LogP3.16
Rot. Bonds1

About (4S,5S)-4-(2,2-dibromoethenyl)-2,2,5-trimethyl-1,3-dioxolane

(4S,5S)-4-(2,2-dibromoethenyl)-2,2,5-trimethyl-1,3-dioxolane (PubChem CID 134870635) has the molecular formula C8H12Br2O2 and a molecular weight of 299.99 g/mol. Its IUPAC name is (4S,5S)-4-(2,2-dibromoethenyl)-2,2,5-trimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S,5S)-4-(2,2-dibromoethenyl)-2,2,5-trimethyl-1,3-dioxolane
PubChem CID134870635
Molecular FormulaC8H12Br2O2
Molecular Weight299.99 g/mol
Exact Mass297.92
IUPAC Name(4S,5S)-4-(2,2-dibromoethenyl)-2,2,5-trimethyl-1,3-dioxolane
SMILESC[C@@H]1OC(C)(C)O[C@H]1C=C(Br)Br
InChIInChI=1S/C8H12Br2O2/c1-5-6(4-7(9)10)12-8(2,3)11-5/h4-6H,1-3H3/t5-,6-/m0/s1
InChIKeyUBLBHRPAMIUMCC-WDSKDSINSA-N
XLogP3.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.99
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(2,2-dibromoethenyl)-2,2,5-trimethyl-1,3-dioxolane?
The IUPAC name of (4S,5S)-4-(2,2-dibromoethenyl)-2,2,5-trimethyl-1,3-dioxolane (CID 134870635) is (4S,5S)-4-(2,2-dibromoethenyl)-2,2,5-trimethyl-1,3-dioxolane.
What is the SMILES notation for (4S,5S)-4-(2,2-dibromoethenyl)-2,2,5-trimethyl-1,3-dioxolane?
The canonical SMILES for (4S,5S)-4-(2,2-dibromoethenyl)-2,2,5-trimethyl-1,3-dioxolane is C[C@@H]1OC(C)(C)O[C@H]1C=C(Br)Br.
What is the InChIKey of (4S,5S)-4-(2,2-dibromoethenyl)-2,2,5-trimethyl-1,3-dioxolane?
The InChIKey is UBLBHRPAMIUMCC-WDSKDSINSA-N. The full InChI is InChI=1S/C8H12Br2O2/c1-5-6(4-7(9)10)12-8(2,3)11-5/h4-6H,1-3H3/t5-,6-/m0/s1.
What are the key properties of (4S,5S)-4-(2,2-dibromoethenyl)-2,2,5-trimethyl-1,3-dioxolane?
(4S,5S)-4-(2,2-dibromoethenyl)-2,2,5-trimethyl-1,3-dioxolane has a molecular weight of 299.99 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(2,2-dibromoethenyl)-2,2,5-trimethyl-1,3-dioxolane is sourced from PubChem (CID 134870635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).