1-methoxy-4-propan-2-yloxypent-2-yne

C9H16O2 — CID 11123097

IUPAC1-methoxy-4-propan-2-yloxypent-2-yne
SMILESCOCC#CC(C)OC(C)C
InChIInChI=1S/C9H16O2/c1-8(2)11-9(3)6-5-7-10-4/h8-9H,7H2,1-4H3
InChIKeyVWGFSXYSFGWLOB-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.45
Rot. Bonds3

About 1-methoxy-4-propan-2-yloxypent-2-yne

1-methoxy-4-propan-2-yloxypent-2-yne (PubChem CID 11123097) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-methoxy-4-propan-2-yloxypent-2-yne.

Molecular Properties

Compound Name1-methoxy-4-propan-2-yloxypent-2-yne
PubChem CID11123097
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-methoxy-4-propan-2-yloxypent-2-yne
SMILESCOCC#CC(C)OC(C)C
InChIInChI=1S/C9H16O2/c1-8(2)11-9(3)6-5-7-10-4/h8-9H,7H2,1-4H3
InChIKeyVWGFSXYSFGWLOB-UHFFFAOYSA-N
XLogP1.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-propan-2-yloxypent-2-yne?
The IUPAC name of 1-methoxy-4-propan-2-yloxypent-2-yne (CID 11123097) is 1-methoxy-4-propan-2-yloxypent-2-yne.
What is the SMILES notation for 1-methoxy-4-propan-2-yloxypent-2-yne?
The canonical SMILES for 1-methoxy-4-propan-2-yloxypent-2-yne is COCC#CC(C)OC(C)C.
What is the InChIKey of 1-methoxy-4-propan-2-yloxypent-2-yne?
The InChIKey is VWGFSXYSFGWLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-8(2)11-9(3)6-5-7-10-4/h8-9H,7H2,1-4H3.
What are the key properties of 1-methoxy-4-propan-2-yloxypent-2-yne?
1-methoxy-4-propan-2-yloxypent-2-yne has a molecular weight of 156.22 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-propan-2-yloxypent-2-yne is sourced from PubChem (CID 11123097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).