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

C14H30O — CID 15032744

IUPAC1-[(2-methylpropan-2-yl)oxy]decane
SMILESCCCCCCCCCCOC(C)(C)C
InChIInChI=1S/C14H30O/c1-5-6-7-8-9-10-11-12-13-15-14(2,3)4/h5-13H2,1-4H3
InChIKeyJQJBQVRTSMGDJX-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.94
Rot. Bonds9

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

1-[(2-methylpropan-2-yl)oxy]decane (PubChem CID 15032744) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]decane.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]decane
PubChem CID15032744
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name1-[(2-methylpropan-2-yl)oxy]decane
SMILESCCCCCCCCCCOC(C)(C)C
InChIInChI=1S/C14H30O/c1-5-6-7-8-9-10-11-12-13-15-14(2,3)4/h5-13H2,1-4H3
InChIKeyJQJBQVRTSMGDJX-UHFFFAOYSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.94
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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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]decane?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]decane (CID 15032744) is 1-[(2-methylpropan-2-yl)oxy]decane.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]decane?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]decane is CCCCCCCCCCOC(C)(C)C.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]decane?
The InChIKey is JQJBQVRTSMGDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-5-6-7-8-9-10-11-12-13-15-14(2,3)4/h5-13H2,1-4H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]decane?
1-[(2-methylpropan-2-yl)oxy]decane has a molecular weight of 214.39 g/mol, XLogP of 4.94, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]decane is sourced from PubChem (CID 15032744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).