1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropoxy)butane

C12H26O2 — CID 139316790

IUPAC1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropoxy)butane
SMILESCC(C)COCCCCOC(C)(C)C
InChIInChI=1S/C12H26O2/c1-11(2)10-13-8-6-7-9-14-12(3,4)5/h11H,6-10H2,1-5H3
InChIKeyIFDRHAKQSYBOST-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.25
Rot. Bonds7

About 1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropoxy)butane

1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropoxy)butane (PubChem CID 139316790) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropoxy)butane.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropoxy)butane
PubChem CID139316790
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropoxy)butane
SMILESCC(C)COCCCCOC(C)(C)C
InChIInChI=1S/C12H26O2/c1-11(2)10-13-8-6-7-9-14-12(3,4)5/h11H,6-10H2,1-5H3
InChIKeyIFDRHAKQSYBOST-UHFFFAOYSA-N
XLogP3.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.25
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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Related Compounds

1-[(2-methylpropan-2-yl)oxy]-8-(2-methylpropoxy)octane
CID 173256840
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
10,10-dimethyl-1-(2-methylpropoxy)undecane
CID 151746454
3-methyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]butane
CID 139316697
1-[3-[(2-methylpropan-2-yl)oxy]propyl]-3-[3-(2-methylpropoxy)propoxy]pyrrolidine
CID 140899224
7-methyl-1-(2-methylpropoxy)octane
CID 23222552
1-(2-methylpropoxy)tridecane
CID 91526471
1-(2-methylpropoxy)undecane
CID 58527571
6-methyl-1-(2-methylpropoxy)heptane
CID 58371735
1-ethoxy-5-[(2-methylpropan-2-yl)oxy]pentane
CID 88911131
2,2-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]propane
CID 134553500
2-methyl-1,10-bis[(2-methylpropan-2-yl)oxy]decane
CID 19888732

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropoxy)butane?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropoxy)butane (CID 139316790) is 1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropoxy)butane.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropoxy)butane?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropoxy)butane is CC(C)COCCCCOC(C)(C)C.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropoxy)butane?
The InChIKey is IFDRHAKQSYBOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-11(2)10-13-8-6-7-9-14-12(3,4)5/h11H,6-10H2,1-5H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropoxy)butane?
1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropoxy)butane has a molecular weight of 202.34 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropoxy)butane is sourced from PubChem (CID 139316790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).