3-(2-methoxyethoxymethoxy)pent-1-yne

C9H16O3 — CID 12043596

IUPAC3-(2-methoxyethoxymethoxy)pent-1-yne
SMILESC#CC(CC)OCOCCOC
InChIInChI=1S/C9H16O3/c1-4-9(5-2)12-8-11-7-6-10-3/h1,9H,5-8H2,2-3H3
InChIKeyDXCRADCXXXWZKN-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.04
Rot. Bonds7

About 3-(2-methoxyethoxymethoxy)pent-1-yne

3-(2-methoxyethoxymethoxy)pent-1-yne (PubChem CID 12043596) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 3-(2-methoxyethoxymethoxy)pent-1-yne.

Molecular Properties

Compound Name3-(2-methoxyethoxymethoxy)pent-1-yne
PubChem CID12043596
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name3-(2-methoxyethoxymethoxy)pent-1-yne
SMILESC#CC(CC)OCOCCOC
InChIInChI=1S/C9H16O3/c1-4-9(5-2)12-8-11-7-6-10-3/h1,9H,5-8H2,2-3H3
InChIKeyDXCRADCXXXWZKN-UHFFFAOYSA-N
XLogP1.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyethoxymethoxy)-N,N-bis[1-(2-methoxyethoxymethoxy)ethyl]ethanamine
CID 87791179
1-(ethoxymethoxy)-2-methoxyethane
CID 18398264
(4S,5S)-5-(2-methoxyethoxymethoxy)undec-1-yn-4-ol
CID 11184860
2-(2-methoxyethoxymethoxy)propanal
CID 13202440
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-methoxy-2-(methoxymethoxymethoxy)ethane
CID 91553787
ethane;formaldehyde;methane;methoxyethane;bis(3-methoxypent-1-yne)
CID 159393475
pent-1-yn-3-yl hydrogen carbonate
CID 89437565
1-ethoxy-1-[2-(2-methoxyethoxy)ethoxy]ethane
CID 87172794
1,2-bis[2-(2-methoxyethoxy)ethoxy]ethane-1,2-diol
CID 155319585

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxymethoxy)pent-1-yne?
The IUPAC name of 3-(2-methoxyethoxymethoxy)pent-1-yne (CID 12043596) is 3-(2-methoxyethoxymethoxy)pent-1-yne.
What is the SMILES notation for 3-(2-methoxyethoxymethoxy)pent-1-yne?
The canonical SMILES for 3-(2-methoxyethoxymethoxy)pent-1-yne is C#CC(CC)OCOCCOC.
What is the InChIKey of 3-(2-methoxyethoxymethoxy)pent-1-yne?
The InChIKey is DXCRADCXXXWZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-4-9(5-2)12-8-11-7-6-10-3/h1,9H,5-8H2,2-3H3.
What are the key properties of 3-(2-methoxyethoxymethoxy)pent-1-yne?
3-(2-methoxyethoxymethoxy)pent-1-yne has a molecular weight of 172.22 g/mol, XLogP of 1.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxymethoxy)pent-1-yne is sourced from PubChem (CID 12043596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).