(1S,2R)-3-ethenylcyclohexa-3,5-diene-1,2-diol

C8H10O2 — CID 11126324

IUPAC(1S,2R)-3-ethenylcyclohexa-3,5-diene-1,2-diol
SMILESC=CC1=CC=C[C@H](O)[C@@H]1O
InChIInChI=1S/C8H10O2/c1-2-6-4-3-5-7(9)8(6)10/h2-5,7-10H,1H2/t7-,8+/m0/s1
InChIKeyVQKKVCTZENPFCZ-JGVFFNPUSA-N
MW138.17 g/mol
LogP0.39
Rot. Bonds1

About (1S,2R)-3-ethenylcyclohexa-3,5-diene-1,2-diol

(1S,2R)-3-ethenylcyclohexa-3,5-diene-1,2-diol (PubChem CID 11126324) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (1S,2R)-3-ethenylcyclohexa-3,5-diene-1,2-diol.

Molecular Properties

Compound Name(1S,2R)-3-ethenylcyclohexa-3,5-diene-1,2-diol
PubChem CID11126324
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(1S,2R)-3-ethenylcyclohexa-3,5-diene-1,2-diol
SMILESC=CC1=CC=C[C@H](O)[C@@H]1O
InChIInChI=1S/C8H10O2/c1-2-6-4-3-5-7(9)8(6)10/h2-5,7-10H,1H2/t7-,8+/m0/s1
InChIKeyVQKKVCTZENPFCZ-JGVFFNPUSA-N
XLogP0.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-3-ethenylcyclohexa-3,5-diene-1,2-diol?
The IUPAC name of (1S,2R)-3-ethenylcyclohexa-3,5-diene-1,2-diol (CID 11126324) is (1S,2R)-3-ethenylcyclohexa-3,5-diene-1,2-diol.
What is the SMILES notation for (1S,2R)-3-ethenylcyclohexa-3,5-diene-1,2-diol?
The canonical SMILES for (1S,2R)-3-ethenylcyclohexa-3,5-diene-1,2-diol is C=CC1=CC=C[C@H](O)[C@@H]1O.
What is the InChIKey of (1S,2R)-3-ethenylcyclohexa-3,5-diene-1,2-diol?
The InChIKey is VQKKVCTZENPFCZ-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H10O2/c1-2-6-4-3-5-7(9)8(6)10/h2-5,7-10H,1H2/t7-,8+/m0/s1.
What are the key properties of (1S,2R)-3-ethenylcyclohexa-3,5-diene-1,2-diol?
(1S,2R)-3-ethenylcyclohexa-3,5-diene-1,2-diol has a molecular weight of 138.17 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-3-ethenylcyclohexa-3,5-diene-1,2-diol is sourced from PubChem (CID 11126324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).