1,2-diethoxycyclohexane

C10H20O2 — CID 566699

IUPAC1,2-diethoxycyclohexane
SMILESCCOC1CCCCC1OCC
InChIInChI=1S/C10H20O2/c1-3-11-9-7-5-6-8-10(9)12-4-2/h9-10H,3-8H2,1-2H3
InChIKeyMJONXQBPXHNGIM-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.37
Rot. Bonds4

About 1,2-diethoxycyclohexane

1,2-diethoxycyclohexane (PubChem CID 566699) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1,2-diethoxycyclohexane.

Molecular Properties

Compound Name1,2-diethoxycyclohexane
PubChem CID566699
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1,2-diethoxycyclohexane
SMILESCCOC1CCCCC1OCC
InChIInChI=1S/C10H20O2/c1-3-11-9-7-5-6-8-10(9)12-4-2/h9-10H,3-8H2,1-2H3
InChIKeyMJONXQBPXHNGIM-UHFFFAOYSA-N
XLogP2.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethoxycyclohexane?
The IUPAC name of 1,2-diethoxycyclohexane (CID 566699) is 1,2-diethoxycyclohexane.
What is the SMILES notation for 1,2-diethoxycyclohexane?
The canonical SMILES for 1,2-diethoxycyclohexane is CCOC1CCCCC1OCC.
What is the InChIKey of 1,2-diethoxycyclohexane?
The InChIKey is MJONXQBPXHNGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-11-9-7-5-6-8-10(9)12-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 1,2-diethoxycyclohexane?
1,2-diethoxycyclohexane has a molecular weight of 172.27 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethoxycyclohexane is sourced from PubChem (CID 566699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).