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

C10H22O2 — CID 53428151

IUPAC3-methyl-1-(1-propoxyethoxy)butane
SMILESCCCOC(C)OCCC(C)C
InChIInChI=1S/C10H22O2/c1-5-7-11-10(4)12-8-6-9(2)3/h9-10H,5-8H2,1-4H3
InChIKeyVPJHYSGCDYPNSB-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.82
Rot. Bonds7

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

3-methyl-1-(1-propoxyethoxy)butane (PubChem CID 53428151) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 3-methyl-1-(1-propoxyethoxy)butane.

Molecular Properties

Compound Name3-methyl-1-(1-propoxyethoxy)butane
PubChem CID53428151
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name3-methyl-1-(1-propoxyethoxy)butane
SMILESCCCOC(C)OCCC(C)C
InChIInChI=1S/C10H22O2/c1-5-7-11-10(4)12-8-6-9(2)3/h9-10H,5-8H2,1-4H3
InChIKeyVPJHYSGCDYPNSB-UHFFFAOYSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.82
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-propoxyethoxy)butane?
The IUPAC name of 3-methyl-1-(1-propoxyethoxy)butane (CID 53428151) is 3-methyl-1-(1-propoxyethoxy)butane.
What is the SMILES notation for 3-methyl-1-(1-propoxyethoxy)butane?
The canonical SMILES for 3-methyl-1-(1-propoxyethoxy)butane is CCCOC(C)OCCC(C)C.
What is the InChIKey of 3-methyl-1-(1-propoxyethoxy)butane?
The InChIKey is VPJHYSGCDYPNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-5-7-11-10(4)12-8-6-9(2)3/h9-10H,5-8H2,1-4H3.
What are the key properties of 3-methyl-1-(1-propoxyethoxy)butane?
3-methyl-1-(1-propoxyethoxy)butane has a molecular weight of 174.28 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-propoxyethoxy)butane is sourced from PubChem (CID 53428151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).