cyclohexane-1,4-diol;ethoxyethane

C10H22O3 — CID 174832685

IUPACcyclohexane-1,4-diol;ethoxyethane
SMILESCCOCC.OC1CCC(O)CC1
InChIInChI=1S/C6H12O2.C4H10O/c7-5-1-2-6(8)4-3-5;1-3-5-4-2/h5-8H,1-4H2;3-4H2,1-2H3
InChIKeyBVBJFJCUOKMNEF-UHFFFAOYSA-N
MW190.28 g/mol
LogP1.33
Rot. Bonds2

About cyclohexane-1,4-diol;ethoxyethane

cyclohexane-1,4-diol;ethoxyethane (PubChem CID 174832685) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is cyclohexane-1,4-diol;ethoxyethane.

Molecular Properties

Compound Namecyclohexane-1,4-diol;ethoxyethane
PubChem CID174832685
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Namecyclohexane-1,4-diol;ethoxyethane
SMILESCCOCC.OC1CCC(O)CC1
InChIInChI=1S/C6H12O2.C4H10O/c7-5-1-2-6(8)4-3-5;1-3-5-4-2/h5-8H,1-4H2;3-4H2,1-2H3
InChIKeyBVBJFJCUOKMNEF-UHFFFAOYSA-N
XLogP1.33
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,4-diol;ethoxyethane?
The IUPAC name of cyclohexane-1,4-diol;ethoxyethane (CID 174832685) is cyclohexane-1,4-diol;ethoxyethane.
What is the SMILES notation for cyclohexane-1,4-diol;ethoxyethane?
The canonical SMILES for cyclohexane-1,4-diol;ethoxyethane is CCOCC.OC1CCC(O)CC1.
What is the InChIKey of cyclohexane-1,4-diol;ethoxyethane?
The InChIKey is BVBJFJCUOKMNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C4H10O/c7-5-1-2-6(8)4-3-5;1-3-5-4-2/h5-8H,1-4H2;3-4H2,1-2H3.
What are the key properties of cyclohexane-1,4-diol;ethoxyethane?
cyclohexane-1,4-diol;ethoxyethane has a molecular weight of 190.28 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,4-diol;ethoxyethane is sourced from PubChem (CID 174832685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).