6,6-diethyloxane-2-carbonitrile

C10H17NO — CID 14905230

IUPAC6,6-diethyloxane-2-carbonitrile
SMILESCCC1(CC)CCCC(C#N)O1
InChIInChI=1S/C10H17NO/c1-3-10(4-2)7-5-6-9(8-11)12-10/h9H,3-7H2,1-2H3
InChIKeyFKYWORSPNQMVLW-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.64
Rot. Bonds2

About 6,6-diethyloxane-2-carbonitrile

6,6-diethyloxane-2-carbonitrile (PubChem CID 14905230) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 6,6-diethyloxane-2-carbonitrile.

Molecular Properties

Compound Name6,6-diethyloxane-2-carbonitrile
PubChem CID14905230
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name6,6-diethyloxane-2-carbonitrile
SMILESCCC1(CC)CCCC(C#N)O1
InChIInChI=1S/C10H17NO/c1-3-10(4-2)7-5-6-9(8-11)12-10/h9H,3-7H2,1-2H3
InChIKeyFKYWORSPNQMVLW-UHFFFAOYSA-N
XLogP2.64
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-diethyloxane-2-carbonitrile?
The IUPAC name of 6,6-diethyloxane-2-carbonitrile (CID 14905230) is 6,6-diethyloxane-2-carbonitrile.
What is the SMILES notation for 6,6-diethyloxane-2-carbonitrile?
The canonical SMILES for 6,6-diethyloxane-2-carbonitrile is CCC1(CC)CCCC(C#N)O1.
What is the InChIKey of 6,6-diethyloxane-2-carbonitrile?
The InChIKey is FKYWORSPNQMVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-10(4-2)7-5-6-9(8-11)12-10/h9H,3-7H2,1-2H3.
What are the key properties of 6,6-diethyloxane-2-carbonitrile?
6,6-diethyloxane-2-carbonitrile has a molecular weight of 167.25 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diethyloxane-2-carbonitrile is sourced from PubChem (CID 14905230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).