3-methoxy-1-(3-methoxy-3-methylbutoxy)-3-methylbutane

C12H26O3 — CID 87271082

IUPAC3-methoxy-1-(3-methoxy-3-methylbutoxy)-3-methylbutane
SMILESCOC(C)(C)CCOCCC(C)(C)OC
InChIInChI=1S/C12H26O3/c1-11(2,13-5)7-9-15-10-8-12(3,4)14-6/h7-10H2,1-6H3
InChIKeyRILGFINHPYGNPC-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.63
Rot. Bonds8

About 3-methoxy-1-(3-methoxy-3-methylbutoxy)-3-methylbutane

3-methoxy-1-(3-methoxy-3-methylbutoxy)-3-methylbutane (PubChem CID 87271082) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-methoxy-1-(3-methoxy-3-methylbutoxy)-3-methylbutane.

Molecular Properties

Compound Name3-methoxy-1-(3-methoxy-3-methylbutoxy)-3-methylbutane
PubChem CID87271082
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name3-methoxy-1-(3-methoxy-3-methylbutoxy)-3-methylbutane
SMILESCOC(C)(C)CCOCCC(C)(C)OC
InChIInChI=1S/C12H26O3/c1-11(2,13-5)7-9-15-10-8-12(3,4)14-6/h7-10H2,1-6H3
InChIKeyRILGFINHPYGNPC-UHFFFAOYSA-N
XLogP2.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.63
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-methoxy-1-(3-methoxy-3-methylbutoxy)-3-methylbutane?
The IUPAC name of 3-methoxy-1-(3-methoxy-3-methylbutoxy)-3-methylbutane (CID 87271082) is 3-methoxy-1-(3-methoxy-3-methylbutoxy)-3-methylbutane.
What is the SMILES notation for 3-methoxy-1-(3-methoxy-3-methylbutoxy)-3-methylbutane?
The canonical SMILES for 3-methoxy-1-(3-methoxy-3-methylbutoxy)-3-methylbutane is COC(C)(C)CCOCCC(C)(C)OC.
What is the InChIKey of 3-methoxy-1-(3-methoxy-3-methylbutoxy)-3-methylbutane?
The InChIKey is RILGFINHPYGNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3/c1-11(2,13-5)7-9-15-10-8-12(3,4)14-6/h7-10H2,1-6H3.
What are the key properties of 3-methoxy-1-(3-methoxy-3-methylbutoxy)-3-methylbutane?
3-methoxy-1-(3-methoxy-3-methylbutoxy)-3-methylbutane has a molecular weight of 218.34 g/mol, XLogP of 2.63, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(3-methoxy-3-methylbutoxy)-3-methylbutane is sourced from PubChem (CID 87271082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).