2-[6-(2-hydroxyethoxy)-3,6,8-trimethyldec-4-yn-3-yl]oxyethanol

C17H32O4 — CID 20743267

IUPAC2-[6-(2-hydroxyethoxy)-3,6,8-trimethyldec-4-yn-3-yl]oxyethanol
SMILESCCC(C)CC(C)(C#CC(C)(CC)OCCO)OCCO
InChIInChI=1S/C17H32O4/c1-6-15(3)14-17(5,21-13-11-19)9-8-16(4,7-2)20-12-10-18/h15,18-19H,6-7,10-14H2,1-5H3
InChIKeyITHQZHRQNHJLET-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.37
Rot. Bonds10

About 2-[6-(2-hydroxyethoxy)-3,6,8-trimethyldec-4-yn-3-yl]oxyethanol

2-[6-(2-hydroxyethoxy)-3,6,8-trimethyldec-4-yn-3-yl]oxyethanol (PubChem CID 20743267) has the molecular formula C17H32O4 and a molecular weight of 300.44 g/mol. Its IUPAC name is 2-[6-(2-hydroxyethoxy)-3,6,8-trimethyldec-4-yn-3-yl]oxyethanol.

Molecular Properties

Compound Name2-[6-(2-hydroxyethoxy)-3,6,8-trimethyldec-4-yn-3-yl]oxyethanol
PubChem CID20743267
Molecular FormulaC17H32O4
Molecular Weight300.44 g/mol
Exact Mass300.23
IUPAC Name2-[6-(2-hydroxyethoxy)-3,6,8-trimethyldec-4-yn-3-yl]oxyethanol
SMILESCCC(C)CC(C)(C#CC(C)(CC)OCCO)OCCO
InChIInChI=1S/C17H32O4/c1-6-15(3)14-17(5,21-13-11-19)9-8-16(4,7-2)20-12-10-18/h15,18-19H,6-7,10-14H2,1-5H3
InChIKeyITHQZHRQNHJLET-UHFFFAOYSA-N
XLogP2.37
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-[6-(2-hydroxyethoxy)-3,6,8-trimethyldec-4-yn-3-yl]oxyethanol?
The IUPAC name of 2-[6-(2-hydroxyethoxy)-3,6,8-trimethyldec-4-yn-3-yl]oxyethanol (CID 20743267) is 2-[6-(2-hydroxyethoxy)-3,6,8-trimethyldec-4-yn-3-yl]oxyethanol.
What is the SMILES notation for 2-[6-(2-hydroxyethoxy)-3,6,8-trimethyldec-4-yn-3-yl]oxyethanol?
The canonical SMILES for 2-[6-(2-hydroxyethoxy)-3,6,8-trimethyldec-4-yn-3-yl]oxyethanol is CCC(C)CC(C)(C#CC(C)(CC)OCCO)OCCO.
What is the InChIKey of 2-[6-(2-hydroxyethoxy)-3,6,8-trimethyldec-4-yn-3-yl]oxyethanol?
The InChIKey is ITHQZHRQNHJLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O4/c1-6-15(3)14-17(5,21-13-11-19)9-8-16(4,7-2)20-12-10-18/h15,18-19H,6-7,10-14H2,1-5H3.
What are the key properties of 2-[6-(2-hydroxyethoxy)-3,6,8-trimethyldec-4-yn-3-yl]oxyethanol?
2-[6-(2-hydroxyethoxy)-3,6,8-trimethyldec-4-yn-3-yl]oxyethanol has a molecular weight of 300.44 g/mol, XLogP of 2.37, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-hydroxyethoxy)-3,6,8-trimethyldec-4-yn-3-yl]oxyethanol is sourced from PubChem (CID 20743267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).