1,1-diethoxyethane;1,3,5-trimethylbenzene

C15H26O2 — CID 66684886

IUPAC1,1-diethoxyethane;1,3,5-trimethylbenzene
SMILESCCOC(C)OCC.Cc1cc(C)cc(C)c1
InChIInChI=1S/C9H12.C6H14O2/c1-7-4-8(2)6-9(3)5-7;1-4-7-6(3)8-5-2/h4-6H,1-3H3;6H,4-5H2,1-3H3
InChIKeyCVTSCCNAKUZKDI-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.02
Rot. Bonds4

About 1,1-diethoxyethane;1,3,5-trimethylbenzene

1,1-diethoxyethane;1,3,5-trimethylbenzene (PubChem CID 66684886) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1,1-diethoxyethane;1,3,5-trimethylbenzene.

Molecular Properties

Compound Name1,1-diethoxyethane;1,3,5-trimethylbenzene
PubChem CID66684886
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name1,1-diethoxyethane;1,3,5-trimethylbenzene
SMILESCCOC(C)OCC.Cc1cc(C)cc(C)c1
InChIInChI=1S/C9H12.C6H14O2/c1-7-4-8(2)6-9(3)5-7;1-4-7-6(3)8-5-2/h4-6H,1-3H3;6H,4-5H2,1-3H3
InChIKeyCVTSCCNAKUZKDI-UHFFFAOYSA-N
XLogP4.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.02
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-diethoxyethane;1,3,5-trimethylbenzene?
The IUPAC name of 1,1-diethoxyethane;1,3,5-trimethylbenzene (CID 66684886) is 1,1-diethoxyethane;1,3,5-trimethylbenzene.
What is the SMILES notation for 1,1-diethoxyethane;1,3,5-trimethylbenzene?
The canonical SMILES for 1,1-diethoxyethane;1,3,5-trimethylbenzene is CCOC(C)OCC.Cc1cc(C)cc(C)c1.
What is the InChIKey of 1,1-diethoxyethane;1,3,5-trimethylbenzene?
The InChIKey is CVTSCCNAKUZKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C6H14O2/c1-7-4-8(2)6-9(3)5-7;1-4-7-6(3)8-5-2/h4-6H,1-3H3;6H,4-5H2,1-3H3.
What are the key properties of 1,1-diethoxyethane;1,3,5-trimethylbenzene?
1,1-diethoxyethane;1,3,5-trimethylbenzene has a molecular weight of 238.37 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxyethane;1,3,5-trimethylbenzene is sourced from PubChem (CID 66684886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).