2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanol

C9H16O4 — CID 11506589

IUPAC2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanol
SMILESC#CCOCCOCCOCCO
InChIInChI=1S/C9H16O4/c1-2-4-11-6-8-13-9-7-12-5-3-10/h1,10H,3-9H2
InChIKeyCXJWUJYYDLYCCQ-UHFFFAOYSA-N
MW188.22 g/mol
LogP-0.34
Rot. Bonds9

About 2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanol

2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanol (PubChem CID 11506589) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanol
PubChem CID11506589
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanol
SMILESC#CCOCCOCCOCCO
InChIInChI=1S/C9H16O4/c1-2-4-11-6-8-13-9-7-12-5-3-10/h1,10H,3-9H2
InChIKeyCXJWUJYYDLYCCQ-UHFFFAOYSA-N
XLogP-0.34
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
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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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 156597060
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 130317798
3-[2-(2-(18F)fluoroethoxy)ethoxy]prop-1-yne
CID 16724484
2-[2-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]but-2-ynoxy]ethoxy]ethoxy]ethanol
CID 12527705
1-azidopropane;2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 165030217
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703
3-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]prop-1-yne
CID 91809458
12-prop-2-ynoxydodecan-1-ol
CID 21311697
5-prop-2-ynoxypentan-1-ol
CID 10796854
CID 172894425
CID 172894425

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanol (CID 11506589) is 2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanol is C#CCOCCOCCOCCO.
What is the InChIKey of 2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanol?
The InChIKey is CXJWUJYYDLYCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-2-4-11-6-8-13-9-7-12-5-3-10/h1,10H,3-9H2.
What are the key properties of 2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanol?
2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanol has a molecular weight of 188.22 g/mol, XLogP of -0.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanol is sourced from PubChem (CID 11506589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).