4-(2-ethoxyethoxy)-2,6,8-trimethylnonane

C16H34O2 — CID 87065827

IUPAC4-(2-ethoxyethoxy)-2,6,8-trimethylnonane
SMILESCCOCCOC(CC(C)C)CC(C)CC(C)C
InChIInChI=1S/C16H34O2/c1-7-17-8-9-18-16(11-14(4)5)12-15(6)10-13(2)3/h13-16H,7-12H2,1-6H3
InChIKeyPPFQLGQRUFRNQS-UHFFFAOYSA-N
MW258.45 g/mol
LogP4.53
Rot. Bonds11

About 4-(2-ethoxyethoxy)-2,6,8-trimethylnonane

4-(2-ethoxyethoxy)-2,6,8-trimethylnonane (PubChem CID 87065827) has the molecular formula C16H34O2 and a molecular weight of 258.45 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-2,6,8-trimethylnonane.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-2,6,8-trimethylnonane
PubChem CID87065827
Molecular FormulaC16H34O2
Molecular Weight258.45 g/mol
Exact Mass258.26
IUPAC Name4-(2-ethoxyethoxy)-2,6,8-trimethylnonane
SMILESCCOCCOC(CC(C)C)CC(C)CC(C)C
InChIInChI=1S/C16H34O2/c1-7-17-8-9-18-16(11-14(4)5)12-15(6)10-13(2)3/h13-16H,7-12H2,1-6H3
InChIKeyPPFQLGQRUFRNQS-UHFFFAOYSA-N
XLogP4.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-(2-ethoxyethoxy)-2,6,8-trimethylnonane?
The IUPAC name of 4-(2-ethoxyethoxy)-2,6,8-trimethylnonane (CID 87065827) is 4-(2-ethoxyethoxy)-2,6,8-trimethylnonane.
What is the SMILES notation for 4-(2-ethoxyethoxy)-2,6,8-trimethylnonane?
The canonical SMILES for 4-(2-ethoxyethoxy)-2,6,8-trimethylnonane is CCOCCOC(CC(C)C)CC(C)CC(C)C.
What is the InChIKey of 4-(2-ethoxyethoxy)-2,6,8-trimethylnonane?
The InChIKey is PPFQLGQRUFRNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2/c1-7-17-8-9-18-16(11-14(4)5)12-15(6)10-13(2)3/h13-16H,7-12H2,1-6H3.
What are the key properties of 4-(2-ethoxyethoxy)-2,6,8-trimethylnonane?
4-(2-ethoxyethoxy)-2,6,8-trimethylnonane has a molecular weight of 258.45 g/mol, XLogP of 4.53, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)-2,6,8-trimethylnonane is sourced from PubChem (CID 87065827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).