2,2-diethyloxepane

C10H20O — CID 89425585

IUPAC2,2-diethyloxepane
SMILESCCC1(CC)CCCCCO1
InChIInChI=1S/C10H20O/c1-3-10(4-2)8-6-5-7-9-11-10/h3-9H2,1-2H3
InChIKeyJPHJCVAFVVFFLZ-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.14
Rot. Bonds2

About 2,2-diethyloxepane

2,2-diethyloxepane (PubChem CID 89425585) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2,2-diethyloxepane.

Molecular Properties

Compound Name2,2-diethyloxepane
PubChem CID89425585
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2,2-diethyloxepane
SMILESCCC1(CC)CCCCCO1
InChIInChI=1S/C10H20O/c1-3-10(4-2)8-6-5-7-9-11-10/h3-9H2,1-2H3
InChIKeyJPHJCVAFVVFFLZ-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyloxepane?
The IUPAC name of 2,2-diethyloxepane (CID 89425585) is 2,2-diethyloxepane.
What is the SMILES notation for 2,2-diethyloxepane?
The canonical SMILES for 2,2-diethyloxepane is CCC1(CC)CCCCCO1.
What is the InChIKey of 2,2-diethyloxepane?
The InChIKey is JPHJCVAFVVFFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-3-10(4-2)8-6-5-7-9-11-10/h3-9H2,1-2H3.
What are the key properties of 2,2-diethyloxepane?
2,2-diethyloxepane has a molecular weight of 156.27 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyloxepane is sourced from PubChem (CID 89425585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).