1-ethenoxy-2,6,8-trimethylnonane

C14H28O — CID 25002

IUPAC1-ethenoxy-2,6,8-trimethylnonane
SMILESC=COCC(C)CCCC(C)CC(C)C
InChIInChI=1S/C14H28O/c1-6-15-11-14(5)9-7-8-13(4)10-12(2)3/h6,12-14H,1,7-11H2,2-5H3
InChIKeySSOZLSNWPFIHKP-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.64
Rot. Bonds9

About 1-ethenoxy-2,6,8-trimethylnonane

1-ethenoxy-2,6,8-trimethylnonane (PubChem CID 25002) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-ethenoxy-2,6,8-trimethylnonane.

Molecular Properties

Compound Name1-ethenoxy-2,6,8-trimethylnonane
PubChem CID25002
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name1-ethenoxy-2,6,8-trimethylnonane
SMILESC=COCC(C)CCCC(C)CC(C)C
InChIInChI=1S/C14H28O/c1-6-15-11-14(5)9-7-8-13(4)10-12(2)3/h6,12-14H,1,7-11H2,2-5H3
InChIKeySSOZLSNWPFIHKP-UHFFFAOYSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-2,6,8-trimethylnonane?
The IUPAC name of 1-ethenoxy-2,6,8-trimethylnonane (CID 25002) is 1-ethenoxy-2,6,8-trimethylnonane.
What is the SMILES notation for 1-ethenoxy-2,6,8-trimethylnonane?
The canonical SMILES for 1-ethenoxy-2,6,8-trimethylnonane is C=COCC(C)CCCC(C)CC(C)C.
What is the InChIKey of 1-ethenoxy-2,6,8-trimethylnonane?
The InChIKey is SSOZLSNWPFIHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-6-15-11-14(5)9-7-8-13(4)10-12(2)3/h6,12-14H,1,7-11H2,2-5H3.
What are the key properties of 1-ethenoxy-2,6,8-trimethylnonane?
1-ethenoxy-2,6,8-trimethylnonane has a molecular weight of 212.38 g/mol, XLogP of 4.64, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2,6,8-trimethylnonane is sourced from PubChem (CID 25002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).