7-ethoxy-7-methyltridecane

C16H34O — CID 87495150

IUPAC7-ethoxy-7-methyltridecane
SMILESCCCCCCC(C)(CCCCCC)OCC
InChIInChI=1S/C16H34O/c1-5-8-10-12-14-16(4,17-7-3)15-13-11-9-6-2/h5-15H2,1-4H3
InChIKeyFXBOTAKVMVIWBO-UHFFFAOYSA-N
MW242.45 g/mol
LogP5.72
Rot. Bonds12

About 7-ethoxy-7-methyltridecane

7-ethoxy-7-methyltridecane (PubChem CID 87495150) has the molecular formula C16H34O and a molecular weight of 242.45 g/mol. Its IUPAC name is 7-ethoxy-7-methyltridecane.

Molecular Properties

Compound Name7-ethoxy-7-methyltridecane
PubChem CID87495150
Molecular FormulaC16H34O
Molecular Weight242.45 g/mol
Exact Mass242.26
IUPAC Name7-ethoxy-7-methyltridecane
SMILESCCCCCCC(C)(CCCCCC)OCC
InChIInChI=1S/C16H34O/c1-5-8-10-12-14-16(4,17-7-3)15-13-11-9-6-2/h5-15H2,1-4H3
InChIKeyFXBOTAKVMVIWBO-UHFFFAOYSA-N
XLogP5.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.45
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-7-methyltridecane?
The IUPAC name of 7-ethoxy-7-methyltridecane (CID 87495150) is 7-ethoxy-7-methyltridecane.
What is the SMILES notation for 7-ethoxy-7-methyltridecane?
The canonical SMILES for 7-ethoxy-7-methyltridecane is CCCCCCC(C)(CCCCCC)OCC.
What is the InChIKey of 7-ethoxy-7-methyltridecane?
The InChIKey is FXBOTAKVMVIWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O/c1-5-8-10-12-14-16(4,17-7-3)15-13-11-9-6-2/h5-15H2,1-4H3.
What are the key properties of 7-ethoxy-7-methyltridecane?
7-ethoxy-7-methyltridecane has a molecular weight of 242.45 g/mol, XLogP of 5.72, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-7-methyltridecane is sourced from PubChem (CID 87495150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).