2-[7-(2-hydroxyethoxy)-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethanol

C18H34O4 — CID 6426660

IUPAC2-[7-(2-hydroxyethoxy)-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethanol
SMILESCC(C)CC(C)(C#CC(C)(CC(C)C)OCCO)OCCO
InChIInChI=1S/C18H34O4/c1-15(2)13-17(5,21-11-9-19)7-8-18(6,14-16(3)4)22-12-10-20/h15-16,19-20H,9-14H2,1-6H3
InChIKeyJIMHRFRMUJZRFD-UHFFFAOYSA-N
MW314.47 g/mol
LogP2.62
Rot. Bonds10

About 2-[7-(2-hydroxyethoxy)-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethanol

2-[7-(2-hydroxyethoxy)-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethanol (PubChem CID 6426660) has the molecular formula C18H34O4 and a molecular weight of 314.47 g/mol. Its IUPAC name is 2-[7-(2-hydroxyethoxy)-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[7-(2-hydroxyethoxy)-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethanol
PubChem CID6426660
Molecular FormulaC18H34O4
Molecular Weight314.47 g/mol
Exact Mass314.25
IUPAC Name2-[7-(2-hydroxyethoxy)-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethanol
SMILESCC(C)CC(C)(C#CC(C)(CC(C)C)OCCO)OCCO
InChIInChI=1S/C18H34O4/c1-15(2)13-17(5,21-11-9-19)7-8-18(6,14-16(3)4)22-12-10-20/h15-16,19-20H,9-14H2,1-6H3
InChIKeyJIMHRFRMUJZRFD-UHFFFAOYSA-N
XLogP2.62
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 52.62
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-[7-(2-hydroxyethoxy)-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethanol?
The IUPAC name of 2-[7-(2-hydroxyethoxy)-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethanol (CID 6426660) is 2-[7-(2-hydroxyethoxy)-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethanol.
What is the SMILES notation for 2-[7-(2-hydroxyethoxy)-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethanol?
The canonical SMILES for 2-[7-(2-hydroxyethoxy)-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethanol is CC(C)CC(C)(C#CC(C)(CC(C)C)OCCO)OCCO.
What is the InChIKey of 2-[7-(2-hydroxyethoxy)-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethanol?
The InChIKey is JIMHRFRMUJZRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4/c1-15(2)13-17(5,21-11-9-19)7-8-18(6,14-16(3)4)22-12-10-20/h15-16,19-20H,9-14H2,1-6H3.
What are the key properties of 2-[7-(2-hydroxyethoxy)-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethanol?
2-[7-(2-hydroxyethoxy)-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethanol has a molecular weight of 314.47 g/mol, XLogP of 2.62, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2-hydroxyethoxy)-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethanol is sourced from PubChem (CID 6426660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).