1,1-diethoxy-2-ethylcyclohexane

C12H24O2 — CID 89063657

IUPAC1,1-diethoxy-2-ethylcyclohexane
SMILESCCOC1(OCC)CCCCC1CC
InChIInChI=1S/C12H24O2/c1-4-11-9-7-8-10-12(11,13-5-2)14-6-3/h11H,4-10H2,1-3H3
InChIKeyATEXJBLJFLZKKU-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.36
Rot. Bonds5

About 1,1-diethoxy-2-ethylcyclohexane

1,1-diethoxy-2-ethylcyclohexane (PubChem CID 89063657) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1,1-diethoxy-2-ethylcyclohexane.

Molecular Properties

Compound Name1,1-diethoxy-2-ethylcyclohexane
PubChem CID89063657
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1,1-diethoxy-2-ethylcyclohexane
SMILESCCOC1(OCC)CCCCC1CC
InChIInChI=1S/C12H24O2/c1-4-11-9-7-8-10-12(11,13-5-2)14-6-3/h11H,4-10H2,1-3H3
InChIKeyATEXJBLJFLZKKU-UHFFFAOYSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.36
H-Bond Donors ≤ 50
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 1,1-diethoxy-2-ethylcyclohexane?
The IUPAC name of 1,1-diethoxy-2-ethylcyclohexane (CID 89063657) is 1,1-diethoxy-2-ethylcyclohexane.
What is the SMILES notation for 1,1-diethoxy-2-ethylcyclohexane?
The canonical SMILES for 1,1-diethoxy-2-ethylcyclohexane is CCOC1(OCC)CCCCC1CC.
What is the InChIKey of 1,1-diethoxy-2-ethylcyclohexane?
The InChIKey is ATEXJBLJFLZKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-4-11-9-7-8-10-12(11,13-5-2)14-6-3/h11H,4-10H2,1-3H3.
What are the key properties of 1,1-diethoxy-2-ethylcyclohexane?
1,1-diethoxy-2-ethylcyclohexane has a molecular weight of 200.32 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-2-ethylcyclohexane is sourced from PubChem (CID 89063657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).