2,4-diethylcyclohexane-1,1-diol

C10H20O2 — CID 154318105

IUPAC2,4-diethylcyclohexane-1,1-diol
SMILESCCC1CCC(O)(O)C(CC)C1
InChIInChI=1S/C10H20O2/c1-3-8-5-6-10(11,12)9(4-2)7-8/h8-9,11-12H,3-7H2,1-2H3
InChIKeyVQRBBPXCSDZOKW-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.90
Rot. Bonds2

About 2,4-diethylcyclohexane-1,1-diol

2,4-diethylcyclohexane-1,1-diol (PubChem CID 154318105) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2,4-diethylcyclohexane-1,1-diol.

Molecular Properties

Compound Name2,4-diethylcyclohexane-1,1-diol
PubChem CID154318105
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2,4-diethylcyclohexane-1,1-diol
SMILESCCC1CCC(O)(O)C(CC)C1
InChIInChI=1S/C10H20O2/c1-3-8-5-6-10(11,12)9(4-2)7-8/h8-9,11-12H,3-7H2,1-2H3
InChIKeyVQRBBPXCSDZOKW-UHFFFAOYSA-N
XLogP1.90
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-diethylcyclohexane-1,1-diol?
The IUPAC name of 2,4-diethylcyclohexane-1,1-diol (CID 154318105) is 2,4-diethylcyclohexane-1,1-diol.
What is the SMILES notation for 2,4-diethylcyclohexane-1,1-diol?
The canonical SMILES for 2,4-diethylcyclohexane-1,1-diol is CCC1CCC(O)(O)C(CC)C1.
What is the InChIKey of 2,4-diethylcyclohexane-1,1-diol?
The InChIKey is VQRBBPXCSDZOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-8-5-6-10(11,12)9(4-2)7-8/h8-9,11-12H,3-7H2,1-2H3.
What are the key properties of 2,4-diethylcyclohexane-1,1-diol?
2,4-diethylcyclohexane-1,1-diol has a molecular weight of 172.27 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethylcyclohexane-1,1-diol is sourced from PubChem (CID 154318105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).