4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]-1-prop-2-enoxypentane

C14H28O2 — CID 166766261

IUPAC4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]-1-prop-2-enoxypentane
SMILESC=CCOCC(CC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C14H28O2/c1-8-9-15-11-12(10-13(2,3)4)16-14(5,6)7/h8,12H,1,9-11H2,2-7H3
InChIKeyIEXZQAULGSWRRL-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.81
Rot. Bonds6

About 4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]-1-prop-2-enoxypentane

4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]-1-prop-2-enoxypentane (PubChem CID 166766261) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]-1-prop-2-enoxypentane.

Molecular Properties

Compound Name4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]-1-prop-2-enoxypentane
PubChem CID166766261
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]-1-prop-2-enoxypentane
SMILESC=CCOCC(CC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C14H28O2/c1-8-9-15-11-12(10-13(2,3)4)16-14(5,6)7/h8,12H,1,9-11H2,2-7H3
InChIKeyIEXZQAULGSWRRL-UHFFFAOYSA-N
XLogP3.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]-1-prop-2-enoxypentane?
The IUPAC name of 4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]-1-prop-2-enoxypentane (CID 166766261) is 4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]-1-prop-2-enoxypentane.
What is the SMILES notation for 4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]-1-prop-2-enoxypentane?
The canonical SMILES for 4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]-1-prop-2-enoxypentane is C=CCOCC(CC(C)(C)C)OC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]-1-prop-2-enoxypentane?
The InChIKey is IEXZQAULGSWRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-8-9-15-11-12(10-13(2,3)4)16-14(5,6)7/h8,12H,1,9-11H2,2-7H3.
What are the key properties of 4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]-1-prop-2-enoxypentane?
4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]-1-prop-2-enoxypentane has a molecular weight of 228.38 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]-1-prop-2-enoxypentane is sourced from PubChem (CID 166766261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).