1-[1-[2-(2-methylprop-2-enoxy)ethoxy]propan-2-yloxy]butane

C13H26O3 — CID 58362293

IUPAC1-[1-[2-(2-methylprop-2-enoxy)ethoxy]propan-2-yloxy]butane
SMILESC=C(C)COCCOCC(C)OCCCC
InChIInChI=1S/C13H26O3/c1-5-6-7-16-13(4)11-15-9-8-14-10-12(2)3/h13H,2,5-11H2,1,3-4H3
InChIKeyUOGSNZWCZQPXLE-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.80
Rot. Bonds11

About 1-[1-[2-(2-methylprop-2-enoxy)ethoxy]propan-2-yloxy]butane

1-[1-[2-(2-methylprop-2-enoxy)ethoxy]propan-2-yloxy]butane (PubChem CID 58362293) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-[1-[2-(2-methylprop-2-enoxy)ethoxy]propan-2-yloxy]butane.

Molecular Properties

Compound Name1-[1-[2-(2-methylprop-2-enoxy)ethoxy]propan-2-yloxy]butane
PubChem CID58362293
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name1-[1-[2-(2-methylprop-2-enoxy)ethoxy]propan-2-yloxy]butane
SMILESC=C(C)COCCOCC(C)OCCCC
InChIInChI=1S/C13H26O3/c1-5-6-7-16-13(4)11-15-9-8-14-10-12(2)3/h13H,2,5-11H2,1,3-4H3
InChIKeyUOGSNZWCZQPXLE-UHFFFAOYSA-N
XLogP2.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methyl-3-[2-[1-[2-(2-methylprop-2-enoxy)propoxy]propan-2-yloxy]ethoxy]prop-1-ene
CID 164792013
1-[2-(2-methylprop-2-enoxy)ethoxy]butane
CID 87922728
1-(2-hexoxypropoxy)hexane
CID 71353992
1-(1-propoxypropan-2-yloxy)pentane
CID 154093458
1-[2-(2-hydroperoxyethoxy)propoxy]butane
CID 87604055
2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane
CID 87065837
ethyl 2-(2-butoxypropoxymethyl)prop-2-enoate
CID 139854890
1-(2-methylprop-2-enoxy)dodecane
CID 156690078
1-[2-(2-decoxypropoxy)propoxy]decane
CID 19693399
1-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane
CID 150016958
1-(2-propoxypropoxy)pentane
CID 22002926
1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 57074955

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-methylprop-2-enoxy)ethoxy]propan-2-yloxy]butane?
The IUPAC name of 1-[1-[2-(2-methylprop-2-enoxy)ethoxy]propan-2-yloxy]butane (CID 58362293) is 1-[1-[2-(2-methylprop-2-enoxy)ethoxy]propan-2-yloxy]butane.
What is the SMILES notation for 1-[1-[2-(2-methylprop-2-enoxy)ethoxy]propan-2-yloxy]butane?
The canonical SMILES for 1-[1-[2-(2-methylprop-2-enoxy)ethoxy]propan-2-yloxy]butane is C=C(C)COCCOCC(C)OCCCC.
What is the InChIKey of 1-[1-[2-(2-methylprop-2-enoxy)ethoxy]propan-2-yloxy]butane?
The InChIKey is UOGSNZWCZQPXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-5-6-7-16-13(4)11-15-9-8-14-10-12(2)3/h13H,2,5-11H2,1,3-4H3.
What are the key properties of 1-[1-[2-(2-methylprop-2-enoxy)ethoxy]propan-2-yloxy]butane?
1-[1-[2-(2-methylprop-2-enoxy)ethoxy]propan-2-yloxy]butane has a molecular weight of 230.35 g/mol, XLogP of 2.80, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-methylprop-2-enoxy)ethoxy]propan-2-yloxy]butane is sourced from PubChem (CID 58362293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).