dodecane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane

C20H44O — CID 135151759

IUPACdodecane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
SMILESCC(C)(C)OC(C)(C)C.CCCCCCCCCCCC
InChIInChI=1S/C12H26.C8H18O/c1-3-5-7-9-11-12-10-8-6-4-2;1-7(2,3)9-8(4,5)6/h3-12H2,1-2H3;1-6H3
InChIKeyDZPVCGYYCMJOOD-UHFFFAOYSA-N
MW300.57 g/mol
LogP7.53
Rot. Bonds9

About dodecane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane

dodecane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane (PubChem CID 135151759) has the molecular formula C20H44O and a molecular weight of 300.57 g/mol. Its IUPAC name is dodecane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane.

Molecular Properties

Compound Namedodecane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
PubChem CID135151759
Molecular FormulaC20H44O
Molecular Weight300.57 g/mol
Exact Mass300.34
IUPAC Namedodecane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
SMILESCC(C)(C)OC(C)(C)C.CCCCCCCCCCCC
InChIInChI=1S/C12H26.C8H18O/c1-3-5-7-9-11-12-10-8-6-4-2;1-7(2,3)9-8(4,5)6/h3-12H2,1-2H3;1-6H3
InChIKeyDZPVCGYYCMJOOD-UHFFFAOYSA-N
XLogP7.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.57
LogP ≤ 57.53
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 dodecane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane?
The IUPAC name of dodecane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane (CID 135151759) is dodecane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane.
What is the SMILES notation for dodecane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane?
The canonical SMILES for dodecane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane is CC(C)(C)OC(C)(C)C.CCCCCCCCCCCC.
What is the InChIKey of dodecane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane?
The InChIKey is DZPVCGYYCMJOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26.C8H18O/c1-3-5-7-9-11-12-10-8-6-4-2;1-7(2,3)9-8(4,5)6/h3-12H2,1-2H3;1-6H3.
What are the key properties of dodecane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane?
dodecane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane has a molecular weight of 300.57 g/mol, XLogP of 7.53, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane is sourced from PubChem (CID 135151759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).