3-methyl-1-(2-propoxyethoxy)butane

C10H22O2 — CID 58817278

IUPAC3-methyl-1-(2-propoxyethoxy)butane
SMILESCCCOCCOCCC(C)C
InChIInChI=1S/C10H22O2/c1-4-6-11-8-9-12-7-5-10(2)3/h10H,4-9H2,1-3H3
InChIKeySFSHUFARLDOIFY-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.48
Rot. Bonds8

About 3-methyl-1-(2-propoxyethoxy)butane

3-methyl-1-(2-propoxyethoxy)butane (PubChem CID 58817278) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 3-methyl-1-(2-propoxyethoxy)butane.

Molecular Properties

Compound Name3-methyl-1-(2-propoxyethoxy)butane
PubChem CID58817278
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name3-methyl-1-(2-propoxyethoxy)butane
SMILESCCCOCCOCCC(C)C
InChIInChI=1S/C10H22O2/c1-4-6-11-8-9-12-7-5-10(2)3/h10H,4-9H2,1-3H3
InChIKeySFSHUFARLDOIFY-UHFFFAOYSA-N
XLogP2.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.48
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 3-methyl-1-(2-propoxyethoxy)butane?
The IUPAC name of 3-methyl-1-(2-propoxyethoxy)butane (CID 58817278) is 3-methyl-1-(2-propoxyethoxy)butane.
What is the SMILES notation for 3-methyl-1-(2-propoxyethoxy)butane?
The canonical SMILES for 3-methyl-1-(2-propoxyethoxy)butane is CCCOCCOCCC(C)C.
What is the InChIKey of 3-methyl-1-(2-propoxyethoxy)butane?
The InChIKey is SFSHUFARLDOIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-4-6-11-8-9-12-7-5-10(2)3/h10H,4-9H2,1-3H3.
What are the key properties of 3-methyl-1-(2-propoxyethoxy)butane?
3-methyl-1-(2-propoxyethoxy)butane has a molecular weight of 174.28 g/mol, XLogP of 2.48, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-propoxyethoxy)butane is sourced from PubChem (CID 58817278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).