(1S,2Z,6S,7Z)-2,7-dibromocyclodeca-2,7-diene-1,6-diol

C10H14Br2O2 — CID 139089608

IUPAC(1S,2Z,6S,7Z)-2,7-dibromocyclodeca-2,7-diene-1,6-diol
SMILESO[C@H]1CC/C=C(\Br)[C@@H](O)CC/C=C/1Br
InChIInChI=1S/C10H14Br2O2/c11-7-3-1-5-9(13)8(12)4-2-6-10(7)14/h3-4,9-10,13-14H,1-2,5-6H2/b7-3-,8-4-/t9-,10-/m0/s1
InChIKeyKRZJJXLMXOJAHA-NMHWXQBNSA-N
MW326.03 g/mol
LogP2.84
Rot. Bonds

About (1S,2Z,6S,7Z)-2,7-dibromocyclodeca-2,7-diene-1,6-diol

(1S,2Z,6S,7Z)-2,7-dibromocyclodeca-2,7-diene-1,6-diol (PubChem CID 139089608) has the molecular formula C10H14Br2O2 and a molecular weight of 326.03 g/mol. Its IUPAC name is (1S,2Z,6S,7Z)-2,7-dibromocyclodeca-2,7-diene-1,6-diol.

Molecular Properties

Compound Name(1S,2Z,6S,7Z)-2,7-dibromocyclodeca-2,7-diene-1,6-diol
PubChem CID139089608
Molecular FormulaC10H14Br2O2
Molecular Weight326.03 g/mol
Exact Mass323.94
IUPAC Name(1S,2Z,6S,7Z)-2,7-dibromocyclodeca-2,7-diene-1,6-diol
SMILESO[C@H]1CC/C=C(\Br)[C@@H](O)CC/C=C/1Br
InChIInChI=1S/C10H14Br2O2/c11-7-3-1-5-9(13)8(12)4-2-6-10(7)14/h3-4,9-10,13-14H,1-2,5-6H2/b7-3-,8-4-/t9-,10-/m0/s1
InChIKeyKRZJJXLMXOJAHA-NMHWXQBNSA-N
XLogP2.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.03
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2Z,6S,7Z)-2,7-dibromocyclodeca-2,7-diene-1,6-diol?
The IUPAC name of (1S,2Z,6S,7Z)-2,7-dibromocyclodeca-2,7-diene-1,6-diol (CID 139089608) is (1S,2Z,6S,7Z)-2,7-dibromocyclodeca-2,7-diene-1,6-diol.
What is the SMILES notation for (1S,2Z,6S,7Z)-2,7-dibromocyclodeca-2,7-diene-1,6-diol?
The canonical SMILES for (1S,2Z,6S,7Z)-2,7-dibromocyclodeca-2,7-diene-1,6-diol is O[C@H]1CC/C=C(\Br)[C@@H](O)CC/C=C/1Br.
What is the InChIKey of (1S,2Z,6S,7Z)-2,7-dibromocyclodeca-2,7-diene-1,6-diol?
The InChIKey is KRZJJXLMXOJAHA-NMHWXQBNSA-N. The full InChI is InChI=1S/C10H14Br2O2/c11-7-3-1-5-9(13)8(12)4-2-6-10(7)14/h3-4,9-10,13-14H,1-2,5-6H2/b7-3-,8-4-/t9-,10-/m0/s1.
What are the key properties of (1S,2Z,6S,7Z)-2,7-dibromocyclodeca-2,7-diene-1,6-diol?
(1S,2Z,6S,7Z)-2,7-dibromocyclodeca-2,7-diene-1,6-diol has a molecular weight of 326.03 g/mol, XLogP of 2.84, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2Z,6S,7Z)-2,7-dibromocyclodeca-2,7-diene-1,6-diol is sourced from PubChem (CID 139089608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).