2-(2,2-diethoxyethylidene)-1,1,3-trimethylcyclohexane

C15H28O2 — CID 154101679

IUPAC2-(2,2-diethoxyethylidene)-1,1,3-trimethylcyclohexane
SMILESCCOC(C=C1C(C)CCCC1(C)C)OCC
InChIInChI=1S/C15H28O2/c1-6-16-14(17-7-2)11-13-12(3)9-8-10-15(13,4)5/h11-12,14H,6-10H2,1-5H3
InChIKeyANMBOWSEZQSWQX-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.16
Rot. Bonds5

About 2-(2,2-diethoxyethylidene)-1,1,3-trimethylcyclohexane

2-(2,2-diethoxyethylidene)-1,1,3-trimethylcyclohexane (PubChem CID 154101679) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(2,2-diethoxyethylidene)-1,1,3-trimethylcyclohexane.

Molecular Properties

Compound Name2-(2,2-diethoxyethylidene)-1,1,3-trimethylcyclohexane
PubChem CID154101679
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-(2,2-diethoxyethylidene)-1,1,3-trimethylcyclohexane
SMILESCCOC(C=C1C(C)CCCC1(C)C)OCC
InChIInChI=1S/C15H28O2/c1-6-16-14(17-7-2)11-13-12(3)9-8-10-15(13,4)5/h11-12,14H,6-10H2,1-5H3
InChIKeyANMBOWSEZQSWQX-UHFFFAOYSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diethoxyethylidene)-1,1,3-trimethylcyclohexane?
The IUPAC name of 2-(2,2-diethoxyethylidene)-1,1,3-trimethylcyclohexane (CID 154101679) is 2-(2,2-diethoxyethylidene)-1,1,3-trimethylcyclohexane.
What is the SMILES notation for 2-(2,2-diethoxyethylidene)-1,1,3-trimethylcyclohexane?
The canonical SMILES for 2-(2,2-diethoxyethylidene)-1,1,3-trimethylcyclohexane is CCOC(C=C1C(C)CCCC1(C)C)OCC.
What is the InChIKey of 2-(2,2-diethoxyethylidene)-1,1,3-trimethylcyclohexane?
The InChIKey is ANMBOWSEZQSWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-6-16-14(17-7-2)11-13-12(3)9-8-10-15(13,4)5/h11-12,14H,6-10H2,1-5H3.
What are the key properties of 2-(2,2-diethoxyethylidene)-1,1,3-trimethylcyclohexane?
2-(2,2-diethoxyethylidene)-1,1,3-trimethylcyclohexane has a molecular weight of 240.39 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diethoxyethylidene)-1,1,3-trimethylcyclohexane is sourced from PubChem (CID 154101679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).