(1S,2S)-1,2-di(cyclobutadienyl)ethane-1,2-diol

C10H10O2 — CID 102253246

IUPAC(1S,2S)-1,2-di(cyclobutadienyl)ethane-1,2-diol
SMILESO[C@@H](C1=CC=C1)[C@@H](O)C1=CC=C1
InChIInChI=1S/C10H10O2/c11-9(7-3-1-4-7)10(12)8-5-2-6-8/h1-6,9-12H/t9-,10-/m0/s1
InChIKeyGRMKTKOFQCPBPE-UWVGGRQHSA-N
MW162.19 g/mol
LogP0.70
Rot. Bonds3

About (1S,2S)-1,2-di(cyclobutadienyl)ethane-1,2-diol

(1S,2S)-1,2-di(cyclobutadienyl)ethane-1,2-diol (PubChem CID 102253246) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (1S,2S)-1,2-di(cyclobutadienyl)ethane-1,2-diol.

Molecular Properties

Compound Name(1S,2S)-1,2-di(cyclobutadienyl)ethane-1,2-diol
PubChem CID102253246
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(1S,2S)-1,2-di(cyclobutadienyl)ethane-1,2-diol
SMILESO[C@@H](C1=CC=C1)[C@@H](O)C1=CC=C1
InChIInChI=1S/C10H10O2/c11-9(7-3-1-4-7)10(12)8-5-2-6-8/h1-6,9-12H/t9-,10-/m0/s1
InChIKeyGRMKTKOFQCPBPE-UWVGGRQHSA-N
XLogP0.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1,2-di(cyclobutadienyl)ethane-1,2-diol?
The IUPAC name of (1S,2S)-1,2-di(cyclobutadienyl)ethane-1,2-diol (CID 102253246) is (1S,2S)-1,2-di(cyclobutadienyl)ethane-1,2-diol.
What is the SMILES notation for (1S,2S)-1,2-di(cyclobutadienyl)ethane-1,2-diol?
The canonical SMILES for (1S,2S)-1,2-di(cyclobutadienyl)ethane-1,2-diol is O[C@@H](C1=CC=C1)[C@@H](O)C1=CC=C1.
What is the InChIKey of (1S,2S)-1,2-di(cyclobutadienyl)ethane-1,2-diol?
The InChIKey is GRMKTKOFQCPBPE-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H10O2/c11-9(7-3-1-4-7)10(12)8-5-2-6-8/h1-6,9-12H/t9-,10-/m0/s1.
What are the key properties of (1S,2S)-1,2-di(cyclobutadienyl)ethane-1,2-diol?
(1S,2S)-1,2-di(cyclobutadienyl)ethane-1,2-diol has a molecular weight of 162.19 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1,2-di(cyclobutadienyl)ethane-1,2-diol is sourced from PubChem (CID 102253246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).