5-(1-methoxypropan-2-yloxy)pent-2-yne

C9H16O2 — CID 87214336

IUPAC5-(1-methoxypropan-2-yloxy)pent-2-yne
SMILESCC#CCCOC(C)COC
InChIInChI=1S/C9H16O2/c1-4-5-6-7-11-9(2)8-10-3/h9H,6-8H2,1-3H3
InChIKeyAUMKOKHFVUOROF-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.45
Rot. Bonds5

About 5-(1-methoxypropan-2-yloxy)pent-2-yne

5-(1-methoxypropan-2-yloxy)pent-2-yne (PubChem CID 87214336) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 5-(1-methoxypropan-2-yloxy)pent-2-yne.

Molecular Properties

Compound Name5-(1-methoxypropan-2-yloxy)pent-2-yne
PubChem CID87214336
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name5-(1-methoxypropan-2-yloxy)pent-2-yne
SMILESCC#CCCOC(C)COC
InChIInChI=1S/C9H16O2/c1-4-5-6-7-11-9(2)8-10-3/h9H,6-8H2,1-3H3
InChIKeyAUMKOKHFVUOROF-UHFFFAOYSA-N
XLogP1.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.45
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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Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxypropan-2-yloxy)pent-2-yne?
The IUPAC name of 5-(1-methoxypropan-2-yloxy)pent-2-yne (CID 87214336) is 5-(1-methoxypropan-2-yloxy)pent-2-yne.
What is the SMILES notation for 5-(1-methoxypropan-2-yloxy)pent-2-yne?
The canonical SMILES for 5-(1-methoxypropan-2-yloxy)pent-2-yne is CC#CCCOC(C)COC.
What is the InChIKey of 5-(1-methoxypropan-2-yloxy)pent-2-yne?
The InChIKey is AUMKOKHFVUOROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-5-6-7-11-9(2)8-10-3/h9H,6-8H2,1-3H3.
What are the key properties of 5-(1-methoxypropan-2-yloxy)pent-2-yne?
5-(1-methoxypropan-2-yloxy)pent-2-yne has a molecular weight of 156.22 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxypropan-2-yloxy)pent-2-yne is sourced from PubChem (CID 87214336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).