2,3-dimethyl-4-(1-propan-2-yloxypropan-2-yloxy)butan-2-ol

C12H26O3 — CID 138747059

IUPAC2,3-dimethyl-4-(1-propan-2-yloxypropan-2-yloxy)butan-2-ol
SMILESCC(C)OCC(C)OCC(C)C(C)(C)O
InChIInChI=1S/C12H26O3/c1-9(2)14-8-11(4)15-7-10(3)12(5,6)13/h9-11,13H,7-8H2,1-6H3
InChIKeyCSFPECSWHHOFJL-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.22
Rot. Bonds7

About 2,3-dimethyl-4-(1-propan-2-yloxypropan-2-yloxy)butan-2-ol

2,3-dimethyl-4-(1-propan-2-yloxypropan-2-yloxy)butan-2-ol (PubChem CID 138747059) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2,3-dimethyl-4-(1-propan-2-yloxypropan-2-yloxy)butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-4-(1-propan-2-yloxypropan-2-yloxy)butan-2-ol
PubChem CID138747059
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name2,3-dimethyl-4-(1-propan-2-yloxypropan-2-yloxy)butan-2-ol
SMILESCC(C)OCC(C)OCC(C)C(C)(C)O
InChIInChI=1S/C12H26O3/c1-9(2)14-8-11(4)15-7-10(3)12(5,6)13/h9-11,13H,7-8H2,1-6H3
InChIKeyCSFPECSWHHOFJL-UHFFFAOYSA-N
XLogP2.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-(1-propan-2-yloxypropan-2-yloxy)butan-2-ol?
The IUPAC name of 2,3-dimethyl-4-(1-propan-2-yloxypropan-2-yloxy)butan-2-ol (CID 138747059) is 2,3-dimethyl-4-(1-propan-2-yloxypropan-2-yloxy)butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-4-(1-propan-2-yloxypropan-2-yloxy)butan-2-ol?
The canonical SMILES for 2,3-dimethyl-4-(1-propan-2-yloxypropan-2-yloxy)butan-2-ol is CC(C)OCC(C)OCC(C)C(C)(C)O.
What is the InChIKey of 2,3-dimethyl-4-(1-propan-2-yloxypropan-2-yloxy)butan-2-ol?
The InChIKey is CSFPECSWHHOFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3/c1-9(2)14-8-11(4)15-7-10(3)12(5,6)13/h9-11,13H,7-8H2,1-6H3.
What are the key properties of 2,3-dimethyl-4-(1-propan-2-yloxypropan-2-yloxy)butan-2-ol?
2,3-dimethyl-4-(1-propan-2-yloxypropan-2-yloxy)butan-2-ol has a molecular weight of 218.34 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-(1-propan-2-yloxypropan-2-yloxy)butan-2-ol is sourced from PubChem (CID 138747059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).