1-butoxy-2-(2-methoxy-3-prop-2-enoxypropoxy)butane

C15H30O4 — CID 59676185

IUPAC1-butoxy-2-(2-methoxy-3-prop-2-enoxypropoxy)butane
SMILESC=CCOCC(COC(CC)COCCCC)OC
InChIInChI=1S/C15H30O4/c1-5-8-10-18-11-14(7-3)19-13-15(16-4)12-17-9-6-2/h6,14-15H,2,5,7-13H2,1,3-4H3
InChIKeyKMTBHGJXVHKNMH-UHFFFAOYSA-N
MW274.40 g/mol
LogP2.82
Rot. Bonds14

About 1-butoxy-2-(2-methoxy-3-prop-2-enoxypropoxy)butane

1-butoxy-2-(2-methoxy-3-prop-2-enoxypropoxy)butane (PubChem CID 59676185) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-butoxy-2-(2-methoxy-3-prop-2-enoxypropoxy)butane.

Molecular Properties

Compound Name1-butoxy-2-(2-methoxy-3-prop-2-enoxypropoxy)butane
PubChem CID59676185
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Name1-butoxy-2-(2-methoxy-3-prop-2-enoxypropoxy)butane
SMILESC=CCOCC(COC(CC)COCCCC)OC
InChIInChI=1S/C15H30O4/c1-5-8-10-18-11-14(7-3)19-13-15(16-4)12-17-9-6-2/h6,14-15H,2,5,7-13H2,1,3-4H3
InChIKeyKMTBHGJXVHKNMH-UHFFFAOYSA-N
XLogP2.82
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-butoxy-3-(2,3-dibutoxypropoxy)propoxy]-1-(2,3-dibutoxypropoxy)butane
CID 157319406
1-(3-hexoxy-2-methoxypropoxy)hexane
CID 163381100
methane;1-(2-methoxybutoxy)hexadecane
CID 161162906
(3S)-4-butoxy-3-prop-2-enoxybutanal
CID 87415144
1,2,3-tris[2-[2-[2-[2-[2-[2-[2-[2-[3-(3-prop-2-enoxypropoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 59107254
1-(1-butoxypropan-2-yloxy)-2-ethoxybutane
CID 157107296
1-hexadecoxy-3-prop-2-enoxypropan-2-ol
CID 86103577
3-[2-[2-(2-methoxybutoxy)butoxy]butoxy]pentane
CID 90195811
(NE)-N-[(3S)-4-butoxy-3-prop-2-enoxybutylidene]hydroxylamine
CID 173287427
1-methoxy-2-(1-methoxy-3-prop-2-enoxypropan-2-yl)oxy-3-prop-2-enoxypropane
CID 22498090
3-(prop-2-enoxymethyl)heptane
CID 3530837
1-prop-2-enoxypentane;zirconium
CID 175164581

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2-(2-methoxy-3-prop-2-enoxypropoxy)butane?
The IUPAC name of 1-butoxy-2-(2-methoxy-3-prop-2-enoxypropoxy)butane (CID 59676185) is 1-butoxy-2-(2-methoxy-3-prop-2-enoxypropoxy)butane.
What is the SMILES notation for 1-butoxy-2-(2-methoxy-3-prop-2-enoxypropoxy)butane?
The canonical SMILES for 1-butoxy-2-(2-methoxy-3-prop-2-enoxypropoxy)butane is C=CCOCC(COC(CC)COCCCC)OC.
What is the InChIKey of 1-butoxy-2-(2-methoxy-3-prop-2-enoxypropoxy)butane?
The InChIKey is KMTBHGJXVHKNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4/c1-5-8-10-18-11-14(7-3)19-13-15(16-4)12-17-9-6-2/h6,14-15H,2,5,7-13H2,1,3-4H3.
What are the key properties of 1-butoxy-2-(2-methoxy-3-prop-2-enoxypropoxy)butane?
1-butoxy-2-(2-methoxy-3-prop-2-enoxypropoxy)butane has a molecular weight of 274.40 g/mol, XLogP of 2.82, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-2-(2-methoxy-3-prop-2-enoxypropoxy)butane is sourced from PubChem (CID 59676185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).