1-ethenoxy-2,2-dimethyltetradecane

C18H36O — CID 19077767

IUPAC1-ethenoxy-2,2-dimethyltetradecane
SMILESC=COCC(C)(C)CCCCCCCCCCCC
InChIInChI=1S/C18H36O/c1-5-7-8-9-10-11-12-13-14-15-16-18(3,4)17-19-6-2/h6H,2,5,7-17H2,1,3-4H3
InChIKeyRKLKDYGRBUSMCX-UHFFFAOYSA-N
MW268.48 g/mol
LogP6.48
Rot. Bonds14

About 1-ethenoxy-2,2-dimethyltetradecane

1-ethenoxy-2,2-dimethyltetradecane (PubChem CID 19077767) has the molecular formula C18H36O and a molecular weight of 268.48 g/mol. Its IUPAC name is 1-ethenoxy-2,2-dimethyltetradecane.

Molecular Properties

Compound Name1-ethenoxy-2,2-dimethyltetradecane
PubChem CID19077767
Molecular FormulaC18H36O
Molecular Weight268.48 g/mol
Exact Mass268.28
IUPAC Name1-ethenoxy-2,2-dimethyltetradecane
SMILESC=COCC(C)(C)CCCCCCCCCCCC
InChIInChI=1S/C18H36O/c1-5-7-8-9-10-11-12-13-14-15-16-18(3,4)17-19-6-2/h6H,2,5,7-17H2,1,3-4H3
InChIKeyRKLKDYGRBUSMCX-UHFFFAOYSA-N
XLogP6.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.48
LogP ≤ 56.48
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-dimethyltetradecane?
The IUPAC name of 1-ethenoxy-2,2-dimethyltetradecane (CID 19077767) is 1-ethenoxy-2,2-dimethyltetradecane.
What is the SMILES notation for 1-ethenoxy-2,2-dimethyltetradecane?
The canonical SMILES for 1-ethenoxy-2,2-dimethyltetradecane is C=COCC(C)(C)CCCCCCCCCCCC.
What is the InChIKey of 1-ethenoxy-2,2-dimethyltetradecane?
The InChIKey is RKLKDYGRBUSMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O/c1-5-7-8-9-10-11-12-13-14-15-16-18(3,4)17-19-6-2/h6H,2,5,7-17H2,1,3-4H3.
What are the key properties of 1-ethenoxy-2,2-dimethyltetradecane?
1-ethenoxy-2,2-dimethyltetradecane has a molecular weight of 268.48 g/mol, XLogP of 6.48, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2,2-dimethyltetradecane is sourced from PubChem (CID 19077767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).