(5R)-5-(2,2-dibromoethenyl)-2,2-dimethyl-4,4-bis(prop-2-enyl)-1,3-dioxolane

C13H18Br2O2 — CID 10618876

IUPAC(5R)-5-(2,2-dibromoethenyl)-2,2-dimethyl-4,4-bis(prop-2-enyl)-1,3-dioxolane
SMILESC=CCC1(CC=C)OC(C)(C)O[C@@H]1C=C(Br)Br
InChIInChI=1S/C13H18Br2O2/c1-5-7-13(8-6-2)10(9-11(14)15)16-12(3,4)17-13/h5-6,9-10H,1-2,7-8H2,3-4H3/t10-/m1/s1
InChIKeyKEXITXCMWQGFNG-SNVBAGLBSA-N
MW366.09 g/mol
LogP4.66
Rot. Bonds5

About (5R)-5-(2,2-dibromoethenyl)-2,2-dimethyl-4,4-bis(prop-2-enyl)-1,3-dioxolane

(5R)-5-(2,2-dibromoethenyl)-2,2-dimethyl-4,4-bis(prop-2-enyl)-1,3-dioxolane (PubChem CID 10618876) has the molecular formula C13H18Br2O2 and a molecular weight of 366.09 g/mol. Its IUPAC name is (5R)-5-(2,2-dibromoethenyl)-2,2-dimethyl-4,4-bis(prop-2-enyl)-1,3-dioxolane.

Molecular Properties

Compound Name(5R)-5-(2,2-dibromoethenyl)-2,2-dimethyl-4,4-bis(prop-2-enyl)-1,3-dioxolane
PubChem CID10618876
Molecular FormulaC13H18Br2O2
Molecular Weight366.09 g/mol
Exact Mass363.97
IUPAC Name(5R)-5-(2,2-dibromoethenyl)-2,2-dimethyl-4,4-bis(prop-2-enyl)-1,3-dioxolane
SMILESC=CCC1(CC=C)OC(C)(C)O[C@@H]1C=C(Br)Br
InChIInChI=1S/C13H18Br2O2/c1-5-7-13(8-6-2)10(9-11(14)15)16-12(3,4)17-13/h5-6,9-10H,1-2,7-8H2,3-4H3/t10-/m1/s1
InChIKeyKEXITXCMWQGFNG-SNVBAGLBSA-N
XLogP4.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.09
LogP ≤ 54.66
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 (5R)-5-(2,2-dibromoethenyl)-2,2-dimethyl-4,4-bis(prop-2-enyl)-1,3-dioxolane?
The IUPAC name of (5R)-5-(2,2-dibromoethenyl)-2,2-dimethyl-4,4-bis(prop-2-enyl)-1,3-dioxolane (CID 10618876) is (5R)-5-(2,2-dibromoethenyl)-2,2-dimethyl-4,4-bis(prop-2-enyl)-1,3-dioxolane.
What is the SMILES notation for (5R)-5-(2,2-dibromoethenyl)-2,2-dimethyl-4,4-bis(prop-2-enyl)-1,3-dioxolane?
The canonical SMILES for (5R)-5-(2,2-dibromoethenyl)-2,2-dimethyl-4,4-bis(prop-2-enyl)-1,3-dioxolane is C=CCC1(CC=C)OC(C)(C)O[C@@H]1C=C(Br)Br.
What is the InChIKey of (5R)-5-(2,2-dibromoethenyl)-2,2-dimethyl-4,4-bis(prop-2-enyl)-1,3-dioxolane?
The InChIKey is KEXITXCMWQGFNG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18Br2O2/c1-5-7-13(8-6-2)10(9-11(14)15)16-12(3,4)17-13/h5-6,9-10H,1-2,7-8H2,3-4H3/t10-/m1/s1.
What are the key properties of (5R)-5-(2,2-dibromoethenyl)-2,2-dimethyl-4,4-bis(prop-2-enyl)-1,3-dioxolane?
(5R)-5-(2,2-dibromoethenyl)-2,2-dimethyl-4,4-bis(prop-2-enyl)-1,3-dioxolane has a molecular weight of 366.09 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2,2-dibromoethenyl)-2,2-dimethyl-4,4-bis(prop-2-enyl)-1,3-dioxolane is sourced from PubChem (CID 10618876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).