1-[2-(2-methylbutan-2-yloxy)ethoxy]dodecane

C19H40O2 — CID 21135481

IUPAC1-[2-(2-methylbutan-2-yloxy)ethoxy]dodecane
SMILESCCCCCCCCCCCCOCCOC(C)(C)CC
InChIInChI=1S/C19H40O2/c1-5-7-8-9-10-11-12-13-14-15-16-20-17-18-21-19(3,4)6-2/h5-18H2,1-4H3
InChIKeyPURISNDNXLXWIA-UHFFFAOYSA-N
MW300.53 g/mol
LogP6.13
Rot. Bonds16

About 1-[2-(2-methylbutan-2-yloxy)ethoxy]dodecane

1-[2-(2-methylbutan-2-yloxy)ethoxy]dodecane (PubChem CID 21135481) has the molecular formula C19H40O2 and a molecular weight of 300.53 g/mol. Its IUPAC name is 1-[2-(2-methylbutan-2-yloxy)ethoxy]dodecane.

Molecular Properties

Compound Name1-[2-(2-methylbutan-2-yloxy)ethoxy]dodecane
PubChem CID21135481
Molecular FormulaC19H40O2
Molecular Weight300.53 g/mol
Exact Mass300.30
IUPAC Name1-[2-(2-methylbutan-2-yloxy)ethoxy]dodecane
SMILESCCCCCCCCCCCCOCCOC(C)(C)CC
InChIInChI=1S/C19H40O2/c1-5-7-8-9-10-11-12-13-14-15-16-20-17-18-21-19(3,4)6-2/h5-18H2,1-4H3
InChIKeyPURISNDNXLXWIA-UHFFFAOYSA-N
XLogP6.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.53
LogP ≤ 56.13
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 1-[2-(2-methylbutan-2-yloxy)ethoxy]dodecane?
The IUPAC name of 1-[2-(2-methylbutan-2-yloxy)ethoxy]dodecane (CID 21135481) is 1-[2-(2-methylbutan-2-yloxy)ethoxy]dodecane.
What is the SMILES notation for 1-[2-(2-methylbutan-2-yloxy)ethoxy]dodecane?
The canonical SMILES for 1-[2-(2-methylbutan-2-yloxy)ethoxy]dodecane is CCCCCCCCCCCCOCCOC(C)(C)CC.
What is the InChIKey of 1-[2-(2-methylbutan-2-yloxy)ethoxy]dodecane?
The InChIKey is PURISNDNXLXWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O2/c1-5-7-8-9-10-11-12-13-14-15-16-20-17-18-21-19(3,4)6-2/h5-18H2,1-4H3.
What are the key properties of 1-[2-(2-methylbutan-2-yloxy)ethoxy]dodecane?
1-[2-(2-methylbutan-2-yloxy)ethoxy]dodecane has a molecular weight of 300.53 g/mol, XLogP of 6.13, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylbutan-2-yloxy)ethoxy]dodecane is sourced from PubChem (CID 21135481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).