1-(2-methylprop-2-enoxy)decane

C14H28O — CID 11790539

IUPAC1-(2-methylprop-2-enoxy)decane
SMILESC=C(C)COCCCCCCCCCC
InChIInChI=1S/C14H28O/c1-4-5-6-7-8-9-10-11-12-15-13-14(2)3/h2,4-13H2,1,3H3
InChIKeyQYZICBFPFXBHKU-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.72
Rot. Bonds11

About 1-(2-methylprop-2-enoxy)decane

1-(2-methylprop-2-enoxy)decane (PubChem CID 11790539) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-(2-methylprop-2-enoxy)decane.

Molecular Properties

Compound Name1-(2-methylprop-2-enoxy)decane
PubChem CID11790539
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name1-(2-methylprop-2-enoxy)decane
SMILESC=C(C)COCCCCCCCCCC
InChIInChI=1S/C14H28O/c1-4-5-6-7-8-9-10-11-12-15-13-14(2)3/h2,4-13H2,1,3H3
InChIKeyQYZICBFPFXBHKU-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-(2-methylprop-2-enoxy)decane?
The IUPAC name of 1-(2-methylprop-2-enoxy)decane (CID 11790539) is 1-(2-methylprop-2-enoxy)decane.
What is the SMILES notation for 1-(2-methylprop-2-enoxy)decane?
The canonical SMILES for 1-(2-methylprop-2-enoxy)decane is C=C(C)COCCCCCCCCCC.
What is the InChIKey of 1-(2-methylprop-2-enoxy)decane?
The InChIKey is QYZICBFPFXBHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-4-5-6-7-8-9-10-11-12-15-13-14(2)3/h2,4-13H2,1,3H3.
What are the key properties of 1-(2-methylprop-2-enoxy)decane?
1-(2-methylprop-2-enoxy)decane has a molecular weight of 212.38 g/mol, XLogP of 4.72, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enoxy)decane is sourced from PubChem (CID 11790539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).