1-(3-methoxy-2-propoxypropoxy)butane

C11H24O3 — CID 90999549

IUPAC1-(3-methoxy-2-propoxypropoxy)butane
SMILESCCCCOCC(COC)OCCC
InChIInChI=1S/C11H24O3/c1-4-6-8-13-10-11(9-12-3)14-7-5-2/h11H,4-10H2,1-3H3
InChIKeyUBSPJXUJTYZALJ-UHFFFAOYSA-N
MW204.31 g/mol
LogP2.24
Rot. Bonds10

About 1-(3-methoxy-2-propoxypropoxy)butane

1-(3-methoxy-2-propoxypropoxy)butane (PubChem CID 90999549) has the molecular formula C11H24O3 and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-(3-methoxy-2-propoxypropoxy)butane.

Molecular Properties

Compound Name1-(3-methoxy-2-propoxypropoxy)butane
PubChem CID90999549
Molecular FormulaC11H24O3
Molecular Weight204.31 g/mol
Exact Mass204.17
IUPAC Name1-(3-methoxy-2-propoxypropoxy)butane
SMILESCCCCOCC(COC)OCCC
InChIInChI=1S/C11H24O3/c1-4-6-8-13-10-11(9-12-3)14-7-5-2/h11H,4-10H2,1-3H3
InChIKeyUBSPJXUJTYZALJ-UHFFFAOYSA-N
XLogP2.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 52.24
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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Related Compounds

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CID 132520295
1-[1-methoxy-3-(2-methoxyethoxy)propan-2-yl]oxyoctadecane
CID 126614147
1-[2,3-di(tridecoxy)propoxy]tridecane
CID 71331054
1-[2,3-di(octacosoxy)propoxy]octacosane
CID 139785017
(2R)-1-butoxy-3-methoxypropan-2-ol
CID 89035731
1,2-dibutoxyhexane
CID 19805858
2-[2-butoxy-3-(2,3-dibutoxypropoxy)propoxy]-1-(2,3-dibutoxypropoxy)butane
CID 157319406
2-butoxy-3-methoxypropan-1-amine
CID 103227994
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-3-methoxy-N-methylpropan-1-amine
CID 103229034
(2S)-1-butoxy-3-methoxy-2-methylpropane
CID 90383590
2-propoxy-1-(2-propoxyethoxy)hexane
CID 91395495
3-[2,3-bis(3-hydroxypropoxy)propoxy]propan-1-ol;methane;propane
CID 159117576

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-propoxypropoxy)butane?
The IUPAC name of 1-(3-methoxy-2-propoxypropoxy)butane (CID 90999549) is 1-(3-methoxy-2-propoxypropoxy)butane.
What is the SMILES notation for 1-(3-methoxy-2-propoxypropoxy)butane?
The canonical SMILES for 1-(3-methoxy-2-propoxypropoxy)butane is CCCCOCC(COC)OCCC.
What is the InChIKey of 1-(3-methoxy-2-propoxypropoxy)butane?
The InChIKey is UBSPJXUJTYZALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3/c1-4-6-8-13-10-11(9-12-3)14-7-5-2/h11H,4-10H2,1-3H3.
What are the key properties of 1-(3-methoxy-2-propoxypropoxy)butane?
1-(3-methoxy-2-propoxypropoxy)butane has a molecular weight of 204.31 g/mol, XLogP of 2.24, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-propoxypropoxy)butane is sourced from PubChem (CID 90999549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).