2-ethylcyclohexane-1,3-diol

C8H16O2 — CID 12812678

IUPAC2-ethylcyclohexane-1,3-diol
SMILESCCC1C(O)CCCC1O
InChIInChI=1S/C8H16O2/c1-2-6-7(9)4-3-5-8(6)10/h6-10H,2-5H2,1H3
InChIKeyULEZJXNOBWDMON-UHFFFAOYSA-N
MW144.21 g/mol
LogP0.92
Rot. Bonds1

About 2-ethylcyclohexane-1,3-diol

2-ethylcyclohexane-1,3-diol (PubChem CID 12812678) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-ethylcyclohexane-1,3-diol.

Molecular Properties

Compound Name2-ethylcyclohexane-1,3-diol
PubChem CID12812678
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-ethylcyclohexane-1,3-diol
SMILESCCC1C(O)CCCC1O
InChIInChI=1S/C8H16O2/c1-2-6-7(9)4-3-5-8(6)10/h6-10H,2-5H2,1H3
InChIKeyULEZJXNOBWDMON-UHFFFAOYSA-N
XLogP0.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylcyclohexane-1,3-diol?
The IUPAC name of 2-ethylcyclohexane-1,3-diol (CID 12812678) is 2-ethylcyclohexane-1,3-diol.
What is the SMILES notation for 2-ethylcyclohexane-1,3-diol?
The canonical SMILES for 2-ethylcyclohexane-1,3-diol is CCC1C(O)CCCC1O.
What is the InChIKey of 2-ethylcyclohexane-1,3-diol?
The InChIKey is ULEZJXNOBWDMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-2-6-7(9)4-3-5-8(6)10/h6-10H,2-5H2,1H3.
What are the key properties of 2-ethylcyclohexane-1,3-diol?
2-ethylcyclohexane-1,3-diol has a molecular weight of 144.21 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylcyclohexane-1,3-diol is sourced from PubChem (CID 12812678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).