3-(methoxymethoxy)pent-4-yn-1-ol

C7H12O3 — CID 10920631

IUPAC3-(methoxymethoxy)pent-4-yn-1-ol
SMILESC#CC(CCO)OCOC
InChIInChI=1S/C7H12O3/c1-3-7(4-5-8)10-6-9-2/h1,7-8H,4-6H2,2H3
InChIKeyHJXJJKVBBJNMBQ-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.01
Rot. Bonds5

About 3-(methoxymethoxy)pent-4-yn-1-ol

3-(methoxymethoxy)pent-4-yn-1-ol (PubChem CID 10920631) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-(methoxymethoxy)pent-4-yn-1-ol.

Molecular Properties

Compound Name3-(methoxymethoxy)pent-4-yn-1-ol
PubChem CID10920631
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name3-(methoxymethoxy)pent-4-yn-1-ol
SMILESC#CC(CCO)OCOC
InChIInChI=1S/C7H12O3/c1-3-7(4-5-8)10-6-9-2/h1,7-8H,4-6H2,2H3
InChIKeyHJXJJKVBBJNMBQ-UHFFFAOYSA-N
XLogP-0.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethoxy)pent-4-yn-1-ol?
The IUPAC name of 3-(methoxymethoxy)pent-4-yn-1-ol (CID 10920631) is 3-(methoxymethoxy)pent-4-yn-1-ol.
What is the SMILES notation for 3-(methoxymethoxy)pent-4-yn-1-ol?
The canonical SMILES for 3-(methoxymethoxy)pent-4-yn-1-ol is C#CC(CCO)OCOC.
What is the InChIKey of 3-(methoxymethoxy)pent-4-yn-1-ol?
The InChIKey is HJXJJKVBBJNMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-3-7(4-5-8)10-6-9-2/h1,7-8H,4-6H2,2H3.
What are the key properties of 3-(methoxymethoxy)pent-4-yn-1-ol?
3-(methoxymethoxy)pent-4-yn-1-ol has a molecular weight of 144.17 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxy)pent-4-yn-1-ol is sourced from PubChem (CID 10920631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).