3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butane

C14H30O3 — CID 59046056

IUPAC3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butane
SMILESCC(C)CCOCCOCCOCCC(C)C
InChIInChI=1S/C14H30O3/c1-13(2)5-7-15-9-11-17-12-10-16-8-6-14(3)4/h13-14H,5-12H2,1-4H3
InChIKeyLDSKUTXPRAUERR-UHFFFAOYSA-N
MW246.39 g/mol
LogP3.13
Rot. Bonds12

About 3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butane

3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butane (PubChem CID 59046056) has the molecular formula C14H30O3 and a molecular weight of 246.39 g/mol. Its IUPAC name is 3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butane.

Molecular Properties

Compound Name3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butane
PubChem CID59046056
Molecular FormulaC14H30O3
Molecular Weight246.39 g/mol
Exact Mass246.22
IUPAC Name3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butane
SMILESCC(C)CCOCCOCCOCCC(C)C
InChIInChI=1S/C14H30O3/c1-13(2)5-7-15-9-11-17-12-10-16-8-6-14(3)4/h13-14H,5-12H2,1-4H3
InChIKeyLDSKUTXPRAUERR-UHFFFAOYSA-N
XLogP3.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butane?
The IUPAC name of 3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butane (CID 59046056) is 3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butane.
What is the SMILES notation for 3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butane?
The canonical SMILES for 3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butane is CC(C)CCOCCOCCOCCC(C)C.
What is the InChIKey of 3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butane?
The InChIKey is LDSKUTXPRAUERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3/c1-13(2)5-7-15-9-11-17-12-10-16-8-6-14(3)4/h13-14H,5-12H2,1-4H3.
What are the key properties of 3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butane?
3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butane has a molecular weight of 246.39 g/mol, XLogP of 3.13, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butane is sourced from PubChem (CID 59046056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).