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

C16H34O3 — CID 142712710

IUPAC2-[2-(2,3,5-trimethylheptan-3-yloxy)propoxy]propan-1-ol
SMILESCCC(C)CC(C)(OC(C)COC(C)CO)C(C)C
InChIInChI=1S/C16H34O3/c1-8-13(4)9-16(7,12(2)3)19-15(6)11-18-14(5)10-17/h12-15,17H,8-11H2,1-7H3
InChIKeyRHYINKHYZYRALG-UHFFFAOYSA-N
MW274.44 g/mol
LogP3.64
Rot. Bonds10

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

2-[2-(2,3,5-trimethylheptan-3-yloxy)propoxy]propan-1-ol (PubChem CID 142712710) has the molecular formula C16H34O3 and a molecular weight of 274.44 g/mol. Its IUPAC name is 2-[2-(2,3,5-trimethylheptan-3-yloxy)propoxy]propan-1-ol.

Molecular Properties

Compound Name2-[2-(2,3,5-trimethylheptan-3-yloxy)propoxy]propan-1-ol
PubChem CID142712710
Molecular FormulaC16H34O3
Molecular Weight274.44 g/mol
Exact Mass274.25
IUPAC Name2-[2-(2,3,5-trimethylheptan-3-yloxy)propoxy]propan-1-ol
SMILESCCC(C)CC(C)(OC(C)COC(C)CO)C(C)C
InChIInChI=1S/C16H34O3/c1-8-13(4)9-16(7,12(2)3)19-15(6)11-18-14(5)10-17/h12-15,17H,8-11H2,1-7H3
InChIKeyRHYINKHYZYRALG-UHFFFAOYSA-N
XLogP3.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3,5-trimethylheptan-3-yloxy)propoxy]propan-1-ol?
The IUPAC name of 2-[2-(2,3,5-trimethylheptan-3-yloxy)propoxy]propan-1-ol (CID 142712710) is 2-[2-(2,3,5-trimethylheptan-3-yloxy)propoxy]propan-1-ol.
What is the SMILES notation for 2-[2-(2,3,5-trimethylheptan-3-yloxy)propoxy]propan-1-ol?
The canonical SMILES for 2-[2-(2,3,5-trimethylheptan-3-yloxy)propoxy]propan-1-ol is CCC(C)CC(C)(OC(C)COC(C)CO)C(C)C.
What is the InChIKey of 2-[2-(2,3,5-trimethylheptan-3-yloxy)propoxy]propan-1-ol?
The InChIKey is RHYINKHYZYRALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3/c1-8-13(4)9-16(7,12(2)3)19-15(6)11-18-14(5)10-17/h12-15,17H,8-11H2,1-7H3.
What are the key properties of 2-[2-(2,3,5-trimethylheptan-3-yloxy)propoxy]propan-1-ol?
2-[2-(2,3,5-trimethylheptan-3-yloxy)propoxy]propan-1-ol has a molecular weight of 274.44 g/mol, XLogP of 3.64, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3,5-trimethylheptan-3-yloxy)propoxy]propan-1-ol is sourced from PubChem (CID 142712710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).