2-[2-(2,2,5-trimethylheptan-3-yloxy)propoxy]propan-1-ol

C16H34O3 — CID 142712323

IUPAC2-[2-(2,2,5-trimethylheptan-3-yloxy)propoxy]propan-1-ol
SMILESCCC(C)CC(OC(C)COC(C)CO)C(C)(C)C
InChIInChI=1S/C16H34O3/c1-8-12(2)9-15(16(5,6)7)19-14(4)11-18-13(3)10-17/h12-15,17H,8-11H2,1-7H3
InChIKeyAOLUHWFYIHPYKG-UHFFFAOYSA-N
MW274.44 g/mol
LogP3.64
Rot. Bonds9

About 2-[2-(2,2,5-trimethylheptan-3-yloxy)propoxy]propan-1-ol

2-[2-(2,2,5-trimethylheptan-3-yloxy)propoxy]propan-1-ol (PubChem CID 142712323) has the molecular formula C16H34O3 and a molecular weight of 274.44 g/mol. Its IUPAC name is 2-[2-(2,2,5-trimethylheptan-3-yloxy)propoxy]propan-1-ol.

Molecular Properties

Compound Name2-[2-(2,2,5-trimethylheptan-3-yloxy)propoxy]propan-1-ol
PubChem CID142712323
Molecular FormulaC16H34O3
Molecular Weight274.44 g/mol
Exact Mass274.25
IUPAC Name2-[2-(2,2,5-trimethylheptan-3-yloxy)propoxy]propan-1-ol
SMILESCCC(C)CC(OC(C)COC(C)CO)C(C)(C)C
InChIInChI=1S/C16H34O3/c1-8-12(2)9-15(16(5,6)7)19-14(4)11-18-13(3)10-17/h12-15,17H,8-11H2,1-7H3
InChIKeyAOLUHWFYIHPYKG-UHFFFAOYSA-N
XLogP3.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,2,4-trimethylhexan-3-yloxy)propoxy]propan-1-ol
CID 142712602
2-[2-(2,3,5-trimethylheptan-3-yloxy)propoxy]propan-1-ol
CID 142712710
2-butan-2-yloxybutane;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 87745303
2-[2-(2,3,4-trimethylpentan-2-yloxy)propoxy]propan-1-ol
CID 142712388
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2,2,4-trimethylpentane-1,3-diol
CID 158532131
2-[2-[1-(2-methylbutyl)cyclopropyl]oxypropoxy]propan-1-ol
CID 142712318
2-[2-[2-[2-(2-propoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 87591136
2,2,5-trimethyl-3-(3-methylhexoxy)heptane
CID 91278849
2-(2-but-1-enoxypropoxy)propan-1-ol
CID 153326022
2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 57250995
2-[2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 87903083
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2,5-trimethylheptan-3-yloxy)propoxy]propan-1-ol?
The IUPAC name of 2-[2-(2,2,5-trimethylheptan-3-yloxy)propoxy]propan-1-ol (CID 142712323) is 2-[2-(2,2,5-trimethylheptan-3-yloxy)propoxy]propan-1-ol.
What is the SMILES notation for 2-[2-(2,2,5-trimethylheptan-3-yloxy)propoxy]propan-1-ol?
The canonical SMILES for 2-[2-(2,2,5-trimethylheptan-3-yloxy)propoxy]propan-1-ol is CCC(C)CC(OC(C)COC(C)CO)C(C)(C)C.
What is the InChIKey of 2-[2-(2,2,5-trimethylheptan-3-yloxy)propoxy]propan-1-ol?
The InChIKey is AOLUHWFYIHPYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3/c1-8-12(2)9-15(16(5,6)7)19-14(4)11-18-13(3)10-17/h12-15,17H,8-11H2,1-7H3.
What are the key properties of 2-[2-(2,2,5-trimethylheptan-3-yloxy)propoxy]propan-1-ol?
2-[2-(2,2,5-trimethylheptan-3-yloxy)propoxy]propan-1-ol has a molecular weight of 274.44 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,5-trimethylheptan-3-yloxy)propoxy]propan-1-ol is sourced from PubChem (CID 142712323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).