1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]adamantane

C19H34O4 — CID 118048141

IUPAC1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]adamantane
SMILESCCCOCCOCCOCCOC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H34O4/c1-2-3-20-4-5-21-6-7-22-8-9-23-19-13-16-10-17(14-19)12-18(11-16)15-19/h16-18H,2-15H2,1H3
InChIKeyQHXSWPKYTLGKDG-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.43
Rot. Bonds12

About 1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]adamantane

1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]adamantane (PubChem CID 118048141) has the molecular formula C19H34O4 and a molecular weight of 326.48 g/mol. Its IUPAC name is 1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]adamantane.

Molecular Properties

Compound Name1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]adamantane
PubChem CID118048141
Molecular FormulaC19H34O4
Molecular Weight326.48 g/mol
Exact Mass326.25
IUPAC Name1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]adamantane
SMILESCCCOCCOCCOCCOC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H34O4/c1-2-3-20-4-5-21-6-7-22-8-9-23-19-13-16-10-17(14-19)12-18(11-16)15-19/h16-18H,2-15H2,1H3
InChIKeyQHXSWPKYTLGKDG-UHFFFAOYSA-N
XLogP3.43
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]adamantane?
The IUPAC name of 1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]adamantane (CID 118048141) is 1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]adamantane.
What is the SMILES notation for 1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]adamantane?
The canonical SMILES for 1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]adamantane is CCCOCCOCCOCCOC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]adamantane?
The InChIKey is QHXSWPKYTLGKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O4/c1-2-3-20-4-5-21-6-7-22-8-9-23-19-13-16-10-17(14-19)12-18(11-16)15-19/h16-18H,2-15H2,1H3.
What are the key properties of 1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]adamantane?
1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]adamantane has a molecular weight of 326.48 g/mol, XLogP of 3.43, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]adamantane is sourced from PubChem (CID 118048141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).