1-ethenoxy-2,2-dimethyldodecane

C16H32O — CID 19077766

IUPAC1-ethenoxy-2,2-dimethyldodecane
SMILESC=COCC(C)(C)CCCCCCCCCC
InChIInChI=1S/C16H32O/c1-5-7-8-9-10-11-12-13-14-16(3,4)15-17-6-2/h6H,2,5,7-15H2,1,3-4H3
InChIKeyRFBNJOYCSCXHCZ-UHFFFAOYSA-N
MW240.43 g/mol
LogP5.70
Rot. Bonds12

About 1-ethenoxy-2,2-dimethyldodecane

1-ethenoxy-2,2-dimethyldodecane (PubChem CID 19077766) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-ethenoxy-2,2-dimethyldodecane.

Molecular Properties

Compound Name1-ethenoxy-2,2-dimethyldodecane
PubChem CID19077766
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name1-ethenoxy-2,2-dimethyldodecane
SMILESC=COCC(C)(C)CCCCCCCCCC
InChIInChI=1S/C16H32O/c1-5-7-8-9-10-11-12-13-14-16(3,4)15-17-6-2/h6H,2,5,7-15H2,1,3-4H3
InChIKeyRFBNJOYCSCXHCZ-UHFFFAOYSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-2,2-dimethyldodecane?
The IUPAC name of 1-ethenoxy-2,2-dimethyldodecane (CID 19077766) is 1-ethenoxy-2,2-dimethyldodecane.
What is the SMILES notation for 1-ethenoxy-2,2-dimethyldodecane?
The canonical SMILES for 1-ethenoxy-2,2-dimethyldodecane is C=COCC(C)(C)CCCCCCCCCC.
What is the InChIKey of 1-ethenoxy-2,2-dimethyldodecane?
The InChIKey is RFBNJOYCSCXHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-5-7-8-9-10-11-12-13-14-16(3,4)15-17-6-2/h6H,2,5,7-15H2,1,3-4H3.
What are the key properties of 1-ethenoxy-2,2-dimethyldodecane?
1-ethenoxy-2,2-dimethyldodecane has a molecular weight of 240.43 g/mol, XLogP of 5.70, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2,2-dimethyldodecane is sourced from PubChem (CID 19077766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).