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

C9H16O2 — CID 87214396

IUPAC1-(1-methoxypropan-2-yloxy)pent-2-yne
SMILESCCC#CCOC(C)COC
InChIInChI=1S/C9H16O2/c1-4-5-6-7-11-9(2)8-10-3/h9H,4,7-8H2,1-3H3
InChIKeyWUELRRKNFJKCPL-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.45
Rot. Bonds4

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

1-(1-methoxypropan-2-yloxy)pent-2-yne (PubChem CID 87214396) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yloxy)pent-2-yne.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yloxy)pent-2-yne
PubChem CID87214396
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-(1-methoxypropan-2-yloxy)pent-2-yne
SMILESCCC#CCOC(C)COC
InChIInChI=1S/C9H16O2/c1-4-5-6-7-11-9(2)8-10-3/h9H,4,7-8H2,1-3H3
InChIKeyWUELRRKNFJKCPL-UHFFFAOYSA-N
XLogP1.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-(1-methoxypropan-2-yloxy)pent-2-yne
CID 87214336
1-methoxy-2-(2-methoxypropoxy)propane;pentane
CID 118376955
2-(chloromethoxy)-1-methoxypropane
CID 79529090
3-(1-methoxypropan-2-yloxymethyl)pentan-3-amine
CID 64573572
2-(2-fluoroethoxy)-1-methoxypropane
CID 175717335
methane;1-methoxy-2-(2-methoxypropoxy)propane
CID 161499840
1,4-di(propan-2-yloxy)but-2-yne
CID 59470661
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]butan-2-ol
CID 20834285
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 140766817
1-methoxy-2-(2-prop-1-ynoxypropoxy)propane
CID 89303603
N-ethyl-1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-amine
CID 107506869

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yloxy)pent-2-yne?
The IUPAC name of 1-(1-methoxypropan-2-yloxy)pent-2-yne (CID 87214396) is 1-(1-methoxypropan-2-yloxy)pent-2-yne.
What is the SMILES notation for 1-(1-methoxypropan-2-yloxy)pent-2-yne?
The canonical SMILES for 1-(1-methoxypropan-2-yloxy)pent-2-yne is CCC#CCOC(C)COC.
What is the InChIKey of 1-(1-methoxypropan-2-yloxy)pent-2-yne?
The InChIKey is WUELRRKNFJKCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-5-6-7-11-9(2)8-10-3/h9H,4,7-8H2,1-3H3.
What are the key properties of 1-(1-methoxypropan-2-yloxy)pent-2-yne?
1-(1-methoxypropan-2-yloxy)pent-2-yne has a molecular weight of 156.22 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yloxy)pent-2-yne is sourced from PubChem (CID 87214396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).