2-[3-[2-(2,2-dimethylbutoxy)-2-methylpropoxy]-3-methylbutoxy]-2-methylpropan-1-ol

C19H40O4 — CID 90360547

IUPAC2-[3-[2-(2,2-dimethylbutoxy)-2-methylpropoxy]-3-methylbutoxy]-2-methylpropan-1-ol
SMILESCCC(C)(C)COC(C)(C)COC(C)(C)CCOC(C)(C)CO
InChIInChI=1S/C19H40O4/c1-10-16(2,3)14-22-19(8,9)15-23-17(4,5)11-12-21-18(6,7)13-20/h20H,10-15H2,1-9H3
InChIKeyNECFCCUXORGMNP-UHFFFAOYSA-N
MW332.53 g/mol
LogP4.19
Rot. Bonds12

About 2-[3-[2-(2,2-dimethylbutoxy)-2-methylpropoxy]-3-methylbutoxy]-2-methylpropan-1-ol

2-[3-[2-(2,2-dimethylbutoxy)-2-methylpropoxy]-3-methylbutoxy]-2-methylpropan-1-ol (PubChem CID 90360547) has the molecular formula C19H40O4 and a molecular weight of 332.53 g/mol. Its IUPAC name is 2-[3-[2-(2,2-dimethylbutoxy)-2-methylpropoxy]-3-methylbutoxy]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[3-[2-(2,2-dimethylbutoxy)-2-methylpropoxy]-3-methylbutoxy]-2-methylpropan-1-ol
PubChem CID90360547
Molecular FormulaC19H40O4
Molecular Weight332.53 g/mol
Exact Mass332.29
IUPAC Name2-[3-[2-(2,2-dimethylbutoxy)-2-methylpropoxy]-3-methylbutoxy]-2-methylpropan-1-ol
SMILESCCC(C)(C)COC(C)(C)COC(C)(C)CCOC(C)(C)CO
InChIInChI=1S/C19H40O4/c1-10-16(2,3)14-22-19(8,9)15-23-17(4,5)11-12-21-18(6,7)13-20/h20H,10-15H2,1-9H3
InChIKeyNECFCCUXORGMNP-UHFFFAOYSA-N
XLogP4.19
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.53
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2,2-dimethylbutoxy)-2-methylpropoxy]-3-methylbutoxy]-2-methylpropan-1-ol?
The IUPAC name of 2-[3-[2-(2,2-dimethylbutoxy)-2-methylpropoxy]-3-methylbutoxy]-2-methylpropan-1-ol (CID 90360547) is 2-[3-[2-(2,2-dimethylbutoxy)-2-methylpropoxy]-3-methylbutoxy]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[3-[2-(2,2-dimethylbutoxy)-2-methylpropoxy]-3-methylbutoxy]-2-methylpropan-1-ol?
The canonical SMILES for 2-[3-[2-(2,2-dimethylbutoxy)-2-methylpropoxy]-3-methylbutoxy]-2-methylpropan-1-ol is CCC(C)(C)COC(C)(C)COC(C)(C)CCOC(C)(C)CO.
What is the InChIKey of 2-[3-[2-(2,2-dimethylbutoxy)-2-methylpropoxy]-3-methylbutoxy]-2-methylpropan-1-ol?
The InChIKey is NECFCCUXORGMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O4/c1-10-16(2,3)14-22-19(8,9)15-23-17(4,5)11-12-21-18(6,7)13-20/h20H,10-15H2,1-9H3.
What are the key properties of 2-[3-[2-(2,2-dimethylbutoxy)-2-methylpropoxy]-3-methylbutoxy]-2-methylpropan-1-ol?
2-[3-[2-(2,2-dimethylbutoxy)-2-methylpropoxy]-3-methylbutoxy]-2-methylpropan-1-ol has a molecular weight of 332.53 g/mol, XLogP of 4.19, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2,2-dimethylbutoxy)-2-methylpropoxy]-3-methylbutoxy]-2-methylpropan-1-ol is sourced from PubChem (CID 90360547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).