1-[(2-methylpropan-2-yl)oxy]decane;oxolane

C18H38O2 — CID 157399947

IUPAC1-[(2-methylpropan-2-yl)oxy]decane;oxolane
SMILESC1CCOC1.CCCCCCCCCCOC(C)(C)C
InChIInChI=1S/C14H30O.C4H8O/c1-5-6-7-8-9-10-11-12-13-15-14(2,3)4;1-2-4-5-3-1/h5-13H2,1-4H3;1-4H2
InChIKeyBNALJJHUEVTGCS-UHFFFAOYSA-N
MW286.50 g/mol
LogP5.74
Rot. Bonds9

About 1-[(2-methylpropan-2-yl)oxy]decane;oxolane

1-[(2-methylpropan-2-yl)oxy]decane;oxolane (PubChem CID 157399947) has the molecular formula C18H38O2 and a molecular weight of 286.50 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]decane;oxolane.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]decane;oxolane
PubChem CID157399947
Molecular FormulaC18H38O2
Molecular Weight286.50 g/mol
Exact Mass286.29
IUPAC Name1-[(2-methylpropan-2-yl)oxy]decane;oxolane
SMILESC1CCOC1.CCCCCCCCCCOC(C)(C)C
InChIInChI=1S/C14H30O.C4H8O/c1-5-6-7-8-9-10-11-12-13-15-14(2,3)4;1-2-4-5-3-1/h5-13H2,1-4H3;1-4H2
InChIKeyBNALJJHUEVTGCS-UHFFFAOYSA-N
XLogP5.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]decane;oxolane?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]decane;oxolane (CID 157399947) is 1-[(2-methylpropan-2-yl)oxy]decane;oxolane.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]decane;oxolane?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]decane;oxolane is C1CCOC1.CCCCCCCCCCOC(C)(C)C.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]decane;oxolane?
The InChIKey is BNALJJHUEVTGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O.C4H8O/c1-5-6-7-8-9-10-11-12-13-15-14(2,3)4;1-2-4-5-3-1/h5-13H2,1-4H3;1-4H2.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]decane;oxolane?
1-[(2-methylpropan-2-yl)oxy]decane;oxolane has a molecular weight of 286.50 g/mol, XLogP of 5.74, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]decane;oxolane is sourced from PubChem (CID 157399947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).