2-prop-2-enoxydodecane

C15H30O — CID 57054634

IUPAC2-prop-2-enoxydodecane
SMILESC=CCOC(C)CCCCCCCCCC
InChIInChI=1S/C15H30O/c1-4-6-7-8-9-10-11-12-13-15(3)16-14-5-2/h5,15H,2,4,6-14H2,1,3H3
InChIKeyLJGRALPFOGEWQW-UHFFFAOYSA-N
MW226.40 g/mol
LogP5.11
Rot. Bonds12

About 2-prop-2-enoxydodecane

2-prop-2-enoxydodecane (PubChem CID 57054634) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 2-prop-2-enoxydodecane.

Molecular Properties

Compound Name2-prop-2-enoxydodecane
PubChem CID57054634
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name2-prop-2-enoxydodecane
SMILESC=CCOC(C)CCCCCCCCCC
InChIInChI=1S/C15H30O/c1-4-6-7-8-9-10-11-12-13-15(3)16-14-5-2/h5,15H,2,4,6-14H2,1,3H3
InChIKeyLJGRALPFOGEWQW-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.40
LogP ≤ 55.11
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 2-prop-2-enoxydodecane?
The IUPAC name of 2-prop-2-enoxydodecane (CID 57054634) is 2-prop-2-enoxydodecane.
What is the SMILES notation for 2-prop-2-enoxydodecane?
The canonical SMILES for 2-prop-2-enoxydodecane is C=CCOC(C)CCCCCCCCCC.
What is the InChIKey of 2-prop-2-enoxydodecane?
The InChIKey is LJGRALPFOGEWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-4-6-7-8-9-10-11-12-13-15(3)16-14-5-2/h5,15H,2,4,6-14H2,1,3H3.
What are the key properties of 2-prop-2-enoxydodecane?
2-prop-2-enoxydodecane has a molecular weight of 226.40 g/mol, XLogP of 5.11, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxydodecane is sourced from PubChem (CID 57054634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).