2-[2-(2,2,4-trimethylhexan-3-yloxy)propoxy]propan-1-ol

C15H32O3 — CID 142712602

IUPAC2-[2-(2,2,4-trimethylhexan-3-yloxy)propoxy]propan-1-ol
SMILESCCC(C)C(OC(C)COC(C)CO)C(C)(C)C
InChIInChI=1S/C15H32O3/c1-8-11(2)14(15(5,6)7)18-13(4)10-17-12(3)9-16/h11-14,16H,8-10H2,1-7H3
InChIKeyZIGWZZWWAMVGEF-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.25
Rot. Bonds8

About 2-[2-(2,2,4-trimethylhexan-3-yloxy)propoxy]propan-1-ol

2-[2-(2,2,4-trimethylhexan-3-yloxy)propoxy]propan-1-ol (PubChem CID 142712602) has the molecular formula C15H32O3 and a molecular weight of 260.42 g/mol. Its IUPAC name is 2-[2-(2,2,4-trimethylhexan-3-yloxy)propoxy]propan-1-ol.

Molecular Properties

Compound Name2-[2-(2,2,4-trimethylhexan-3-yloxy)propoxy]propan-1-ol
PubChem CID142712602
Molecular FormulaC15H32O3
Molecular Weight260.42 g/mol
Exact Mass260.24
IUPAC Name2-[2-(2,2,4-trimethylhexan-3-yloxy)propoxy]propan-1-ol
SMILESCCC(C)C(OC(C)COC(C)CO)C(C)(C)C
InChIInChI=1S/C15H32O3/c1-8-11(2)14(15(5,6)7)18-13(4)10-17-12(3)9-16/h11-14,16H,8-10H2,1-7H3
InChIKeyZIGWZZWWAMVGEF-UHFFFAOYSA-N
XLogP3.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,2,5-trimethylheptan-3-yloxy)propoxy]propan-1-ol
CID 142712323
2-[[(2S)-1-hydroxypropan-2-yl]oxymethyl]-3,3-dimethylbutanoic acid
CID 87350035
2-butan-2-yloxybutane;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 87745303
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2,2,4-trimethylpentane-1,3-diol
CID 158532131
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 135398128
2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 57250995
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 52944184
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 129258007
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 22051694
2-[2-(2,3,4-trimethylpentan-2-yloxy)propoxy]propan-1-ol
CID 142712388
2-[2-(2,3,5-trimethylheptan-3-yloxy)propoxy]propan-1-ol
CID 142712710
2-[2-[2-[2-(2-propoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 87591136

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2,4-trimethylhexan-3-yloxy)propoxy]propan-1-ol?
The IUPAC name of 2-[2-(2,2,4-trimethylhexan-3-yloxy)propoxy]propan-1-ol (CID 142712602) is 2-[2-(2,2,4-trimethylhexan-3-yloxy)propoxy]propan-1-ol.
What is the SMILES notation for 2-[2-(2,2,4-trimethylhexan-3-yloxy)propoxy]propan-1-ol?
The canonical SMILES for 2-[2-(2,2,4-trimethylhexan-3-yloxy)propoxy]propan-1-ol is CCC(C)C(OC(C)COC(C)CO)C(C)(C)C.
What is the InChIKey of 2-[2-(2,2,4-trimethylhexan-3-yloxy)propoxy]propan-1-ol?
The InChIKey is ZIGWZZWWAMVGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3/c1-8-11(2)14(15(5,6)7)18-13(4)10-17-12(3)9-16/h11-14,16H,8-10H2,1-7H3.
What are the key properties of 2-[2-(2,2,4-trimethylhexan-3-yloxy)propoxy]propan-1-ol?
2-[2-(2,2,4-trimethylhexan-3-yloxy)propoxy]propan-1-ol has a molecular weight of 260.42 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,4-trimethylhexan-3-yloxy)propoxy]propan-1-ol is sourced from PubChem (CID 142712602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).