3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropan-1-ol

C20H42O4 — CID 58571429

IUPAC3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)COCC(C)(C)COCC(C)(C)COCC(C)(C)CO
InChIInChI=1S/C20H42O4/c1-17(2,3)11-22-13-19(6,7)15-24-16-20(8,9)14-23-12-18(4,5)10-21/h21H,10-16H2,1-9H3
InChIKeyYFVFENLKYKOLKM-UHFFFAOYSA-N
MW346.55 g/mol
LogP4.15
Rot. Bonds12

About 3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropan-1-ol

3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropan-1-ol (PubChem CID 58571429) has the molecular formula C20H42O4 and a molecular weight of 346.55 g/mol. Its IUPAC name is 3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropan-1-ol
PubChem CID58571429
Molecular FormulaC20H42O4
Molecular Weight346.55 g/mol
Exact Mass346.31
IUPAC Name3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)COCC(C)(C)COCC(C)(C)COCC(C)(C)CO
InChIInChI=1S/C20H42O4/c1-17(2,3)11-22-13-19(6,7)15-24-16-20(8,9)14-23-12-18(4,5)10-21/h21H,10-16H2,1-9H3
InChIKeyYFVFENLKYKOLKM-UHFFFAOYSA-N
XLogP4.15
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.55
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropan-1-ol (CID 58571429) is 3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropan-1-ol is CC(C)(C)COCC(C)(C)COCC(C)(C)COCC(C)(C)CO.
What is the InChIKey of 3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropan-1-ol?
The InChIKey is YFVFENLKYKOLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O4/c1-17(2,3)11-22-13-19(6,7)15-24-16-20(8,9)14-23-12-18(4,5)10-21/h21H,10-16H2,1-9H3.
What are the key properties of 3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropan-1-ol?
3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropan-1-ol has a molecular weight of 346.55 g/mol, XLogP of 4.15, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 58571429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).