3-methyl-1-(1-propoxypropoxy)butane

C11H24O2 — CID 53428152

IUPAC3-methyl-1-(1-propoxypropoxy)butane
SMILESCCCOC(CC)OCCC(C)C
InChIInChI=1S/C11H24O2/c1-5-8-12-11(6-2)13-9-7-10(3)4/h10-11H,5-9H2,1-4H3
InChIKeyLKIPPJXMIREVSH-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.21
Rot. Bonds8

About 3-methyl-1-(1-propoxypropoxy)butane

3-methyl-1-(1-propoxypropoxy)butane (PubChem CID 53428152) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 3-methyl-1-(1-propoxypropoxy)butane.

Molecular Properties

Compound Name3-methyl-1-(1-propoxypropoxy)butane
PubChem CID53428152
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name3-methyl-1-(1-propoxypropoxy)butane
SMILESCCCOC(CC)OCCC(C)C
InChIInChI=1S/C11H24O2/c1-5-8-12-11(6-2)13-9-7-10(3)4/h10-11H,5-9H2,1-4H3
InChIKeyLKIPPJXMIREVSH-UHFFFAOYSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-propoxypropoxy)butane?
The IUPAC name of 3-methyl-1-(1-propoxypropoxy)butane (CID 53428152) is 3-methyl-1-(1-propoxypropoxy)butane.
What is the SMILES notation for 3-methyl-1-(1-propoxypropoxy)butane?
The canonical SMILES for 3-methyl-1-(1-propoxypropoxy)butane is CCCOC(CC)OCCC(C)C.
What is the InChIKey of 3-methyl-1-(1-propoxypropoxy)butane?
The InChIKey is LKIPPJXMIREVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-5-8-12-11(6-2)13-9-7-10(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 3-methyl-1-(1-propoxypropoxy)butane?
3-methyl-1-(1-propoxypropoxy)butane has a molecular weight of 188.31 g/mol, XLogP of 3.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-propoxypropoxy)butane is sourced from PubChem (CID 53428152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).