2-[5-(2-hydroxyethoxy)-2,5,7-trimethyl-2-propan-2-yloct-3-ynoxy]ethanol

C18H34O4 — CID 23539771

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

About 2-[5-(2-hydroxyethoxy)-2,5,7-trimethyl-2-propan-2-yloct-3-ynoxy]ethanol

2-[5-(2-hydroxyethoxy)-2,5,7-trimethyl-2-propan-2-yloct-3-ynoxy]ethanol (PubChem CID 23539771) has the molecular formula C18H34O4 and a molecular weight of 314.47 g/mol. Its IUPAC name is 2-[5-(2-hydroxyethoxy)-2,5,7-trimethyl-2-propan-2-yloct-3-ynoxy]ethanol.

Molecular Properties

Compound Name2-[5-(2-hydroxyethoxy)-2,5,7-trimethyl-2-propan-2-yloct-3-ynoxy]ethanol
PubChem CID23539771
Molecular FormulaC18H34O4
Molecular Weight314.47 g/mol
Exact Mass314.25
IUPAC Name2-[5-(2-hydroxyethoxy)-2,5,7-trimethyl-2-propan-2-yloct-3-ynoxy]ethanol
SMILESCC(C)CC(C)(C#CC(C)(COCCO)C(C)C)OCCO
InChIInChI=1S/C18H34O4/c1-15(2)13-18(6,22-12-10-20)8-7-17(5,16(3)4)14-21-11-9-19/h15-16,19-20H,9-14H2,1-6H3
InChIKeyOFESZVBPGXJBMS-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-hydroxyethoxy)-2,5,7-trimethyl-2-propan-2-yloct-3-ynoxy]ethanol?
The IUPAC name of 2-[5-(2-hydroxyethoxy)-2,5,7-trimethyl-2-propan-2-yloct-3-ynoxy]ethanol (CID 23539771) is 2-[5-(2-hydroxyethoxy)-2,5,7-trimethyl-2-propan-2-yloct-3-ynoxy]ethanol.
What is the SMILES notation for 2-[5-(2-hydroxyethoxy)-2,5,7-trimethyl-2-propan-2-yloct-3-ynoxy]ethanol?
The canonical SMILES for 2-[5-(2-hydroxyethoxy)-2,5,7-trimethyl-2-propan-2-yloct-3-ynoxy]ethanol is CC(C)CC(C)(C#CC(C)(COCCO)C(C)C)OCCO.
What is the InChIKey of 2-[5-(2-hydroxyethoxy)-2,5,7-trimethyl-2-propan-2-yloct-3-ynoxy]ethanol?
The InChIKey is OFESZVBPGXJBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4/c1-15(2)13-18(6,22-12-10-20)8-7-17(5,16(3)4)14-21-11-9-19/h15-16,19-20H,9-14H2,1-6H3.
What are the key properties of 2-[5-(2-hydroxyethoxy)-2,5,7-trimethyl-2-propan-2-yloct-3-ynoxy]ethanol?
2-[5-(2-hydroxyethoxy)-2,5,7-trimethyl-2-propan-2-yloct-3-ynoxy]ethanol has a molecular weight of 314.47 g/mol, XLogP of 2.47, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-hydroxyethoxy)-2,5,7-trimethyl-2-propan-2-yloct-3-ynoxy]ethanol is sourced from PubChem (CID 23539771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).