(6Z,8R,14R,15Z)-8,14-dibromo-1,4,10,13-tetraoxadispiro[4.3.49.35]hexadeca-6,15-diene

C12H14Br2O4 — CID 10022753

IUPAC(6Z,8R,14R,15Z)-8,14-dibromo-1,4,10,13-tetraoxadispiro[4.3.49.35]hexadeca-6,15-diene
SMILESBr[C@@H]1/C=C\C2(/C=C\[C@@H](Br)C13OCCO3)OCCO2
InChIInChI=1S/C12H14Br2O4/c13-9-1-3-11(15-5-6-16-11)4-2-10(14)12(9)17-7-8-18-12/h1-4,9-10H,5-8H2/b3-1-,4-2-/t9-,10-/m1/s1
InChIKeyYQHFORDRGZZRQD-VINZPDJISA-N
MW382.05 g/mol
LogP2.13
Rot. Bonds

About (6Z,8R,14R,15Z)-8,14-dibromo-1,4,10,13-tetraoxadispiro[4.3.49.35]hexadeca-6,15-diene

(6Z,8R,14R,15Z)-8,14-dibromo-1,4,10,13-tetraoxadispiro[4.3.49.35]hexadeca-6,15-diene (PubChem CID 10022753) has the molecular formula C12H14Br2O4 and a molecular weight of 382.05 g/mol. Its IUPAC name is (6Z,8R,14R,15Z)-8,14-dibromo-1,4,10,13-tetraoxadispiro[4.3.49.35]hexadeca-6,15-diene.

Molecular Properties

Compound Name(6Z,8R,14R,15Z)-8,14-dibromo-1,4,10,13-tetraoxadispiro[4.3.49.35]hexadeca-6,15-diene
PubChem CID10022753
Molecular FormulaC12H14Br2O4
Molecular Weight382.05 g/mol
Exact Mass379.93
IUPAC Name(6Z,8R,14R,15Z)-8,14-dibromo-1,4,10,13-tetraoxadispiro[4.3.49.35]hexadeca-6,15-diene
SMILESBr[C@@H]1/C=C\C2(/C=C\[C@@H](Br)C13OCCO3)OCCO2
InChIInChI=1S/C12H14Br2O4/c13-9-1-3-11(15-5-6-16-11)4-2-10(14)12(9)17-7-8-18-12/h1-4,9-10H,5-8H2/b3-1-,4-2-/t9-,10-/m1/s1
InChIKeyYQHFORDRGZZRQD-VINZPDJISA-N
XLogP2.13
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.05
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z,8R,14R,15Z)-8,14-dibromo-1,4,10,13-tetraoxadispiro[4.3.49.35]hexadeca-6,15-diene?
The IUPAC name of (6Z,8R,14R,15Z)-8,14-dibromo-1,4,10,13-tetraoxadispiro[4.3.49.35]hexadeca-6,15-diene (CID 10022753) is (6Z,8R,14R,15Z)-8,14-dibromo-1,4,10,13-tetraoxadispiro[4.3.49.35]hexadeca-6,15-diene.
What is the SMILES notation for (6Z,8R,14R,15Z)-8,14-dibromo-1,4,10,13-tetraoxadispiro[4.3.49.35]hexadeca-6,15-diene?
The canonical SMILES for (6Z,8R,14R,15Z)-8,14-dibromo-1,4,10,13-tetraoxadispiro[4.3.49.35]hexadeca-6,15-diene is Br[C@@H]1/C=C\C2(/C=C\[C@@H](Br)C13OCCO3)OCCO2.
What is the InChIKey of (6Z,8R,14R,15Z)-8,14-dibromo-1,4,10,13-tetraoxadispiro[4.3.49.35]hexadeca-6,15-diene?
The InChIKey is YQHFORDRGZZRQD-VINZPDJISA-N. The full InChI is InChI=1S/C12H14Br2O4/c13-9-1-3-11(15-5-6-16-11)4-2-10(14)12(9)17-7-8-18-12/h1-4,9-10H,5-8H2/b3-1-,4-2-/t9-,10-/m1/s1.
What are the key properties of (6Z,8R,14R,15Z)-8,14-dibromo-1,4,10,13-tetraoxadispiro[4.3.49.35]hexadeca-6,15-diene?
(6Z,8R,14R,15Z)-8,14-dibromo-1,4,10,13-tetraoxadispiro[4.3.49.35]hexadeca-6,15-diene has a molecular weight of 382.05 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8R,14R,15Z)-8,14-dibromo-1,4,10,13-tetraoxadispiro[4.3.49.35]hexadeca-6,15-diene is sourced from PubChem (CID 10022753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).