5-(methoxymethoxy)pent-1-yne

C7H12O2 — CID 10725365

IUPAC5-(methoxymethoxy)pent-1-yne
SMILESC#CCCCOCOC
InChIInChI=1S/C7H12O2/c1-3-4-5-6-9-7-8-2/h1H,4-7H2,2H3
InChIKeyIPDKPXPVAMHCAY-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.02
Rot. Bonds5

About 5-(methoxymethoxy)pent-1-yne

5-(methoxymethoxy)pent-1-yne (PubChem CID 10725365) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 5-(methoxymethoxy)pent-1-yne.

Molecular Properties

Compound Name5-(methoxymethoxy)pent-1-yne
PubChem CID10725365
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name5-(methoxymethoxy)pent-1-yne
SMILESC#CCCCOCOC
InChIInChI=1S/C7H12O2/c1-3-4-5-6-9-7-8-2/h1H,4-7H2,2H3
InChIKeyIPDKPXPVAMHCAY-UHFFFAOYSA-N
XLogP1.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

5-pent-4-ynoxypent-1-yne
CID 57020380
1-(pent-4-ynoxymethoxy)octane
CID 156529634
9-(hexoxymethoxy)non-1-yne
CID 156529681
9-(octoxymethoxy)non-1-yne
CID 156529699
8-(ethoxymethoxy)oct-1-yne
CID 156529670
5-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]pent-1-yne
CID 139594107
1-(but-3-ynoxymethoxy)hexane
CID 156529666
4-but-3-ynoxybutanenitrile
CID 134336232
1,4-bis(but-3-ynoxy)butane
CID 123521140
11-hexoxyundec-1-yne
CID 89349998
lithium 1-(methoxymethoxy)pentane
CID 172535172
7-(methoxymethoxy)heptan-1-ol
CID 102354620

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethoxy)pent-1-yne?
The IUPAC name of 5-(methoxymethoxy)pent-1-yne (CID 10725365) is 5-(methoxymethoxy)pent-1-yne.
What is the SMILES notation for 5-(methoxymethoxy)pent-1-yne?
The canonical SMILES for 5-(methoxymethoxy)pent-1-yne is C#CCCCOCOC.
What is the InChIKey of 5-(methoxymethoxy)pent-1-yne?
The InChIKey is IPDKPXPVAMHCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-3-4-5-6-9-7-8-2/h1H,4-7H2,2H3.
What are the key properties of 5-(methoxymethoxy)pent-1-yne?
5-(methoxymethoxy)pent-1-yne has a molecular weight of 128.17 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethoxy)pent-1-yne is sourced from PubChem (CID 10725365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).