2-(2-decan-5-yloxypropoxy)propan-1-ol

C16H34O3 — CID 139806378

IUPAC2-(2-decan-5-yloxypropoxy)propan-1-ol
SMILESCCCCCC(CCCC)OC(C)COC(C)CO
InChIInChI=1S/C16H34O3/c1-5-7-9-11-16(10-8-6-2)19-15(4)13-18-14(3)12-17/h14-17H,5-13H2,1-4H3
InChIKeyFYFIZHOUFIOYTB-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.93
Rot. Bonds13

About 2-(2-decan-5-yloxypropoxy)propan-1-ol

2-(2-decan-5-yloxypropoxy)propan-1-ol (PubChem CID 139806378) has the molecular formula C16H34O3 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-(2-decan-5-yloxypropoxy)propan-1-ol.

Molecular Properties

Compound Name2-(2-decan-5-yloxypropoxy)propan-1-ol
PubChem CID139806378
Molecular FormulaC16H34O3
Molecular Weight274.45 g/mol
Exact Mass274.25
IUPAC Name2-(2-decan-5-yloxypropoxy)propan-1-ol
SMILESCCCCCC(CCCC)OC(C)COC(C)CO
InChIInChI=1S/C16H34O3/c1-5-7-9-11-16(10-8-6-2)19-15(4)13-18-14(3)12-17/h14-17H,5-13H2,1-4H3
InChIKeyFYFIZHOUFIOYTB-UHFFFAOYSA-N
XLogP3.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-decan-5-yloxypropoxy)propan-1-ol?
The IUPAC name of 2-(2-decan-5-yloxypropoxy)propan-1-ol (CID 139806378) is 2-(2-decan-5-yloxypropoxy)propan-1-ol.
What is the SMILES notation for 2-(2-decan-5-yloxypropoxy)propan-1-ol?
The canonical SMILES for 2-(2-decan-5-yloxypropoxy)propan-1-ol is CCCCCC(CCCC)OC(C)COC(C)CO.
What is the InChIKey of 2-(2-decan-5-yloxypropoxy)propan-1-ol?
The InChIKey is FYFIZHOUFIOYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3/c1-5-7-9-11-16(10-8-6-2)19-15(4)13-18-14(3)12-17/h14-17H,5-13H2,1-4H3.
What are the key properties of 2-(2-decan-5-yloxypropoxy)propan-1-ol?
2-(2-decan-5-yloxypropoxy)propan-1-ol has a molecular weight of 274.45 g/mol, XLogP of 3.93, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-decan-5-yloxypropoxy)propan-1-ol is sourced from PubChem (CID 139806378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).