2-undecyloxane

C16H32O — CID 67003900

IUPAC2-undecyloxane
SMILESCCCCCCCCCCCC1CCCCO1
InChIInChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-13-16-14-11-12-15-17-16/h16H,2-15H2,1H3
InChIKeyDVUVLFBJLGTLPE-UHFFFAOYSA-N
MW240.43 g/mol
LogP5.48
Rot. Bonds10

About 2-undecyloxane

2-undecyloxane (PubChem CID 67003900) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is 2-undecyloxane.

Molecular Properties

Compound Name2-undecyloxane
PubChem CID67003900
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name2-undecyloxane
SMILESCCCCCCCCCCCC1CCCCO1
InChIInChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-13-16-14-11-12-15-17-16/h16H,2-15H2,1H3
InChIKeyDVUVLFBJLGTLPE-UHFFFAOYSA-N
XLogP5.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,2-Epoxyhexadecane
CID 23741
Dicaprylyl Ether
CID 12399
Didecyl Ether
CID 17152
Dilauryl Ether
CID 20667
Dimyristyl Ether
CID 79433
1,2-Epoxyoctadecane
CID 23872
Oxirane, 2-heptadecyl-
CID 105846
9,10-Epoxyoctadecane
CID 4621500
Oxirane, 2-pentadecyl-
CID 89596
Cyclododecane, (2-methylpropoxy)-
CID 76333
Cyclododecane, propoxy-
CID 105765
Butyl dodecyl ether
CID 14977258

Frequently Asked Questions

What is the IUPAC name of 2-undecyloxane?
The IUPAC name of 2-undecyloxane (CID 67003900) is 2-undecyloxane.
What is the SMILES notation for 2-undecyloxane?
The canonical SMILES for 2-undecyloxane is CCCCCCCCCCCC1CCCCO1.
What is the InChIKey of 2-undecyloxane?
The InChIKey is DVUVLFBJLGTLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-13-16-14-11-12-15-17-16/h16H,2-15H2,1H3.
What are the key properties of 2-undecyloxane?
2-undecyloxane has a molecular weight of 240.43 g/mol, XLogP of 5.48, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undecyloxane is sourced from PubChem (CID 67003900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).