4-(4-hydroxy-2,3,4-trimethylpentan-2-yl)oxy-2,3,4-trimethylpentan-2-ol

C16H34O3 — CID 87110602

IUPAC4-(4-hydroxy-2,3,4-trimethylpentan-2-yl)oxy-2,3,4-trimethylpentan-2-ol
SMILESCC(C(C)(C)O)C(C)(C)OC(C)(C)C(C)C(C)(C)O
InChIInChI=1S/C16H34O3/c1-11(13(3,4)17)15(7,8)19-16(9,10)12(2)14(5,6)18/h11-12,17-18H,1-10H3
InChIKeyAYTSOBDYXBNDFX-UHFFFAOYSA-N
MW274.44 g/mol
LogP3.37
Rot. Bonds6

About 4-(4-hydroxy-2,3,4-trimethylpentan-2-yl)oxy-2,3,4-trimethylpentan-2-ol

4-(4-hydroxy-2,3,4-trimethylpentan-2-yl)oxy-2,3,4-trimethylpentan-2-ol (PubChem CID 87110602) has the molecular formula C16H34O3 and a molecular weight of 274.44 g/mol. Its IUPAC name is 4-(4-hydroxy-2,3,4-trimethylpentan-2-yl)oxy-2,3,4-trimethylpentan-2-ol.

Molecular Properties

Compound Name4-(4-hydroxy-2,3,4-trimethylpentan-2-yl)oxy-2,3,4-trimethylpentan-2-ol
PubChem CID87110602
Molecular FormulaC16H34O3
Molecular Weight274.44 g/mol
Exact Mass274.25
IUPAC Name4-(4-hydroxy-2,3,4-trimethylpentan-2-yl)oxy-2,3,4-trimethylpentan-2-ol
SMILESCC(C(C)(C)O)C(C)(C)OC(C)(C)C(C)C(C)(C)O
InChIInChI=1S/C16H34O3/c1-11(13(3,4)17)15(7,8)19-16(9,10)12(2)14(5,6)18/h11-12,17-18H,1-10H3
InChIKeyAYTSOBDYXBNDFX-UHFFFAOYSA-N
XLogP3.37
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-2,3,4-trimethylpentan-2-yl)oxy-2,3,4-trimethylpentan-2-ol?
The IUPAC name of 4-(4-hydroxy-2,3,4-trimethylpentan-2-yl)oxy-2,3,4-trimethylpentan-2-ol (CID 87110602) is 4-(4-hydroxy-2,3,4-trimethylpentan-2-yl)oxy-2,3,4-trimethylpentan-2-ol.
What is the SMILES notation for 4-(4-hydroxy-2,3,4-trimethylpentan-2-yl)oxy-2,3,4-trimethylpentan-2-ol?
The canonical SMILES for 4-(4-hydroxy-2,3,4-trimethylpentan-2-yl)oxy-2,3,4-trimethylpentan-2-ol is CC(C(C)(C)O)C(C)(C)OC(C)(C)C(C)C(C)(C)O.
What is the InChIKey of 4-(4-hydroxy-2,3,4-trimethylpentan-2-yl)oxy-2,3,4-trimethylpentan-2-ol?
The InChIKey is AYTSOBDYXBNDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3/c1-11(13(3,4)17)15(7,8)19-16(9,10)12(2)14(5,6)18/h11-12,17-18H,1-10H3.
What are the key properties of 4-(4-hydroxy-2,3,4-trimethylpentan-2-yl)oxy-2,3,4-trimethylpentan-2-ol?
4-(4-hydroxy-2,3,4-trimethylpentan-2-yl)oxy-2,3,4-trimethylpentan-2-ol has a molecular weight of 274.44 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-2,3,4-trimethylpentan-2-yl)oxy-2,3,4-trimethylpentan-2-ol is sourced from PubChem (CID 87110602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).