5-(3-ethoxypropoxy)hex-1-yne

C11H20O2 — CID 21485698

IUPAC5-(3-ethoxypropoxy)hex-1-yne
SMILESC#CCCC(C)OCCCOCC
InChIInChI=1S/C11H20O2/c1-4-6-8-11(3)13-10-7-9-12-5-2/h1,11H,5-10H2,2-3H3
InChIKeyWBFRFAMVPDMJBD-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.23
Rot. Bonds8

About 5-(3-ethoxypropoxy)hex-1-yne

5-(3-ethoxypropoxy)hex-1-yne (PubChem CID 21485698) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 5-(3-ethoxypropoxy)hex-1-yne.

Molecular Properties

Compound Name5-(3-ethoxypropoxy)hex-1-yne
PubChem CID21485698
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name5-(3-ethoxypropoxy)hex-1-yne
SMILESC#CCCC(C)OCCCOCC
InChIInChI=1S/C11H20O2/c1-4-6-8-11(3)13-10-7-9-12-5-2/h1,11H,5-10H2,2-3H3
InChIKeyWBFRFAMVPDMJBD-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-hex-5-ynoxyhexane
CID 54235991
7-ethoxy-3-methylhept-1-yne
CID 91807315
6-ethoxyhex-1-yne;hex-5-yn-1-ol
CID 158489724
1-hex-5-ynoxy-1-hex-5-yn-2-yloxyhex-2-yne
CID 140966976
1-(2-ethoxyethoxy)-3-methylbutane;1-(3-ethoxypropoxy)-3-methylbutane
CID 161271742
1-ethoxyoct-7-yn-4-one
CID 105100778
3-[2-(2-ethoxyethoxy)ethoxy]-1-methoxybutane
CID 129235286
1-(3-dodecoxybutoxy)dodecane
CID 173358855
8-(ethoxymethoxy)oct-1-yne
CID 156529670
2-ethoxy-N-methylhept-6-yn-3-amine
CID 64532782
1-ethoxy-17-methyloctadecane
CID 91042875
2-butoxyhexane;ethane
CID 144590910

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxypropoxy)hex-1-yne?
The IUPAC name of 5-(3-ethoxypropoxy)hex-1-yne (CID 21485698) is 5-(3-ethoxypropoxy)hex-1-yne.
What is the SMILES notation for 5-(3-ethoxypropoxy)hex-1-yne?
The canonical SMILES for 5-(3-ethoxypropoxy)hex-1-yne is C#CCCC(C)OCCCOCC.
What is the InChIKey of 5-(3-ethoxypropoxy)hex-1-yne?
The InChIKey is WBFRFAMVPDMJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-6-8-11(3)13-10-7-9-12-5-2/h1,11H,5-10H2,2-3H3.
What are the key properties of 5-(3-ethoxypropoxy)hex-1-yne?
5-(3-ethoxypropoxy)hex-1-yne has a molecular weight of 184.28 g/mol, XLogP of 2.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxypropoxy)hex-1-yne is sourced from PubChem (CID 21485698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).