2-ethyl-5,6-dimethylcyclohex-2-ene-1,4-diol

C10H18O2 — CID 59229432

IUPAC2-ethyl-5,6-dimethylcyclohex-2-ene-1,4-diol
SMILESCCC1=CC(O)C(C)C(C)C1O
InChIInChI=1S/C10H18O2/c1-4-8-5-9(11)6(2)7(3)10(8)12/h5-7,9-12H,4H2,1-3H3
InChIKeyWMZHNIWKDIEHRP-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.33
Rot. Bonds1

About 2-ethyl-5,6-dimethylcyclohex-2-ene-1,4-diol

2-ethyl-5,6-dimethylcyclohex-2-ene-1,4-diol (PubChem CID 59229432) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-ethyl-5,6-dimethylcyclohex-2-ene-1,4-diol.

Molecular Properties

Compound Name2-ethyl-5,6-dimethylcyclohex-2-ene-1,4-diol
PubChem CID59229432
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-ethyl-5,6-dimethylcyclohex-2-ene-1,4-diol
SMILESCCC1=CC(O)C(C)C(C)C1O
InChIInChI=1S/C10H18O2/c1-4-8-5-9(11)6(2)7(3)10(8)12/h5-7,9-12H,4H2,1-3H3
InChIKeyWMZHNIWKDIEHRP-UHFFFAOYSA-N
XLogP1.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,6-dimethylcyclohex-2-ene-1,4-diol?
The IUPAC name of 2-ethyl-5,6-dimethylcyclohex-2-ene-1,4-diol (CID 59229432) is 2-ethyl-5,6-dimethylcyclohex-2-ene-1,4-diol.
What is the SMILES notation for 2-ethyl-5,6-dimethylcyclohex-2-ene-1,4-diol?
The canonical SMILES for 2-ethyl-5,6-dimethylcyclohex-2-ene-1,4-diol is CCC1=CC(O)C(C)C(C)C1O.
What is the InChIKey of 2-ethyl-5,6-dimethylcyclohex-2-ene-1,4-diol?
The InChIKey is WMZHNIWKDIEHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-8-5-9(11)6(2)7(3)10(8)12/h5-7,9-12H,4H2,1-3H3.
What are the key properties of 2-ethyl-5,6-dimethylcyclohex-2-ene-1,4-diol?
2-ethyl-5,6-dimethylcyclohex-2-ene-1,4-diol has a molecular weight of 170.25 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,6-dimethylcyclohex-2-ene-1,4-diol is sourced from PubChem (CID 59229432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).