(1S,2E,4R)-2,3-dibromocyclododec-2-ene-1,4-diol

C12H20Br2O2 — CID 11152461

IUPAC(1S,2E,4R)-2,3-dibromocyclododec-2-ene-1,4-diol
SMILESO[C@@H]1CCCCCCCC[C@H](O)/C(Br)=C/1Br
InChIInChI=1S/C12H20Br2O2/c13-11-9(15)7-5-3-1-2-4-6-8-10(16)12(11)14/h9-10,15-16H,1-8H2/b12-11+/t9-,10+
InChIKeyGBZGTYGCOSLBTF-KWDJCLATSA-N
MW356.10 g/mol
LogP3.84
Rot. Bonds

About (1S,2E,4R)-2,3-dibromocyclododec-2-ene-1,4-diol

(1S,2E,4R)-2,3-dibromocyclododec-2-ene-1,4-diol (PubChem CID 11152461) has the molecular formula C12H20Br2O2 and a molecular weight of 356.10 g/mol. Its IUPAC name is (1S,2E,4R)-2,3-dibromocyclododec-2-ene-1,4-diol.

Molecular Properties

Compound Name(1S,2E,4R)-2,3-dibromocyclododec-2-ene-1,4-diol
PubChem CID11152461
Molecular FormulaC12H20Br2O2
Molecular Weight356.10 g/mol
Exact Mass353.98
IUPAC Name(1S,2E,4R)-2,3-dibromocyclododec-2-ene-1,4-diol
SMILESO[C@@H]1CCCCCCCC[C@H](O)/C(Br)=C/1Br
InChIInChI=1S/C12H20Br2O2/c13-11-9(15)7-5-3-1-2-4-6-8-10(16)12(11)14/h9-10,15-16H,1-8H2/b12-11+/t9-,10+
InChIKeyGBZGTYGCOSLBTF-KWDJCLATSA-N
XLogP3.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.10
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2E,4R)-2,3-dibromocyclododec-2-ene-1,4-diol?
The IUPAC name of (1S,2E,4R)-2,3-dibromocyclododec-2-ene-1,4-diol (CID 11152461) is (1S,2E,4R)-2,3-dibromocyclododec-2-ene-1,4-diol.
What is the SMILES notation for (1S,2E,4R)-2,3-dibromocyclododec-2-ene-1,4-diol?
The canonical SMILES for (1S,2E,4R)-2,3-dibromocyclododec-2-ene-1,4-diol is O[C@@H]1CCCCCCCC[C@H](O)/C(Br)=C/1Br.
What is the InChIKey of (1S,2E,4R)-2,3-dibromocyclododec-2-ene-1,4-diol?
The InChIKey is GBZGTYGCOSLBTF-KWDJCLATSA-N. The full InChI is InChI=1S/C12H20Br2O2/c13-11-9(15)7-5-3-1-2-4-6-8-10(16)12(11)14/h9-10,15-16H,1-8H2/b12-11+/t9-,10+.
What are the key properties of (1S,2E,4R)-2,3-dibromocyclododec-2-ene-1,4-diol?
(1S,2E,4R)-2,3-dibromocyclododec-2-ene-1,4-diol has a molecular weight of 356.10 g/mol, XLogP of 3.84, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2E,4R)-2,3-dibromocyclododec-2-ene-1,4-diol is sourced from PubChem (CID 11152461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).