5-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]pent-1-yne

C16H26O5 — CID 139594107

IUPAC5-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]pent-1-yne
SMILESC#CCCCOCCOCCOCCOCCOCC#C
InChIInChI=1S/C16H26O5/c1-3-5-6-8-18-10-12-20-14-16-21-15-13-19-11-9-17-7-4-2/h1-2H,5-16H2
InChIKeyOCYFTFMINZTIAD-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.12
Rot. Bonds16

About 5-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]pent-1-yne

5-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]pent-1-yne (PubChem CID 139594107) has the molecular formula C16H26O5 and a molecular weight of 298.38 g/mol. Its IUPAC name is 5-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]pent-1-yne.

Molecular Properties

Compound Name5-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]pent-1-yne
PubChem CID139594107
Molecular FormulaC16H26O5
Molecular Weight298.38 g/mol
Exact Mass298.18
IUPAC Name5-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]pent-1-yne
SMILESC#CCCCOCCOCCOCCOCCOCC#C
InChIInChI=1S/C16H26O5/c1-3-5-6-8-18-10-12-20-14-16-21-15-13-19-11-9-17-7-4-2/h1-2H,5-16H2
InChIKeyOCYFTFMINZTIAD-UHFFFAOYSA-N
XLogP1.12
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

5-pent-4-ynoxypent-1-yne
CID 57020380
3-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]prop-1-yne
CID 91809458
1,4-bis(but-3-ynoxy)butane
CID 123521140
CID 172894425
CID 172894425
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 156597060
3-[2-(2-(18F)fluoroethoxy)ethoxy]prop-1-yne
CID 16724484
2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanol
CID 11506589
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
4-prop-2-ynoxybutan-1-amine
CID 126972070
5-(methoxymethoxy)pent-1-yne
CID 10725365
3-prop-2-ynoxypropan-1-amine;hydrochloride
CID 154853238
2-(2-prop-2-ynoxyethoxy)acetonitrile
CID 131979201

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]pent-1-yne?
The IUPAC name of 5-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]pent-1-yne (CID 139594107) is 5-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]pent-1-yne.
What is the SMILES notation for 5-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]pent-1-yne?
The canonical SMILES for 5-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]pent-1-yne is C#CCCCOCCOCCOCCOCCOCC#C.
What is the InChIKey of 5-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]pent-1-yne?
The InChIKey is OCYFTFMINZTIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O5/c1-3-5-6-8-18-10-12-20-14-16-21-15-13-19-11-9-17-7-4-2/h1-2H,5-16H2.
What are the key properties of 5-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]pent-1-yne?
5-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]pent-1-yne has a molecular weight of 298.38 g/mol, XLogP of 1.12, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]pent-1-yne is sourced from PubChem (CID 139594107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).