7-(2-hydroxyethoxy)-2,4,7,9-tetramethyldec-5-yn-4-ol

C16H30O3 — CID 6426661

IUPAC7-(2-hydroxyethoxy)-2,4,7,9-tetramethyldec-5-yn-4-ol
SMILESCC(C)CC(C)(O)C#CC(C)(CC(C)C)OCCO
InChIInChI=1S/C16H30O3/c1-13(2)11-15(5,18)7-8-16(6,12-14(3)4)19-10-9-17/h13-14,17-18H,9-12H2,1-6H3
InChIKeyJXYFVIQBROPVIH-UHFFFAOYSA-N
MW270.41 g/mol
LogP2.60
Rot. Bonds7

About 7-(2-hydroxyethoxy)-2,4,7,9-tetramethyldec-5-yn-4-ol

7-(2-hydroxyethoxy)-2,4,7,9-tetramethyldec-5-yn-4-ol (PubChem CID 6426661) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 7-(2-hydroxyethoxy)-2,4,7,9-tetramethyldec-5-yn-4-ol.

Molecular Properties

Compound Name7-(2-hydroxyethoxy)-2,4,7,9-tetramethyldec-5-yn-4-ol
PubChem CID6426661
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name7-(2-hydroxyethoxy)-2,4,7,9-tetramethyldec-5-yn-4-ol
SMILESCC(C)CC(C)(O)C#CC(C)(CC(C)C)OCCO
InChIInChI=1S/C16H30O3/c1-13(2)11-15(5,18)7-8-16(6,12-14(3)4)19-10-9-17/h13-14,17-18H,9-12H2,1-6H3
InChIKeyJXYFVIQBROPVIH-UHFFFAOYSA-N
XLogP2.60
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxyethoxy)-2,4,7,9-tetramethyldec-5-yn-4-ol?
The IUPAC name of 7-(2-hydroxyethoxy)-2,4,7,9-tetramethyldec-5-yn-4-ol (CID 6426661) is 7-(2-hydroxyethoxy)-2,4,7,9-tetramethyldec-5-yn-4-ol.
What is the SMILES notation for 7-(2-hydroxyethoxy)-2,4,7,9-tetramethyldec-5-yn-4-ol?
The canonical SMILES for 7-(2-hydroxyethoxy)-2,4,7,9-tetramethyldec-5-yn-4-ol is CC(C)CC(C)(O)C#CC(C)(CC(C)C)OCCO.
What is the InChIKey of 7-(2-hydroxyethoxy)-2,4,7,9-tetramethyldec-5-yn-4-ol?
The InChIKey is JXYFVIQBROPVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-13(2)11-15(5,18)7-8-16(6,12-14(3)4)19-10-9-17/h13-14,17-18H,9-12H2,1-6H3.
What are the key properties of 7-(2-hydroxyethoxy)-2,4,7,9-tetramethyldec-5-yn-4-ol?
7-(2-hydroxyethoxy)-2,4,7,9-tetramethyldec-5-yn-4-ol has a molecular weight of 270.41 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxyethoxy)-2,4,7,9-tetramethyldec-5-yn-4-ol is sourced from PubChem (CID 6426661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).