5-methoxy-2-prop-2-enoxypent-1-en-3-yne

C9H12O2 — CID 134989006

IUPAC5-methoxy-2-prop-2-enoxypent-1-en-3-yne
SMILESC=CCOC(=C)C#CCOC
InChIInChI=1S/C9H12O2/c1-4-7-11-9(2)6-5-8-10-3/h4H,1-2,7-8H2,3H3
InChIKeyFCRQWENNRSBAPS-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.35
Rot. Bonds4

About 5-methoxy-2-prop-2-enoxypent-1-en-3-yne

5-methoxy-2-prop-2-enoxypent-1-en-3-yne (PubChem CID 134989006) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 5-methoxy-2-prop-2-enoxypent-1-en-3-yne.

Molecular Properties

Compound Name5-methoxy-2-prop-2-enoxypent-1-en-3-yne
PubChem CID134989006
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name5-methoxy-2-prop-2-enoxypent-1-en-3-yne
SMILESC=CCOC(=C)C#CCOC
InChIInChI=1S/C9H12O2/c1-4-7-11-9(2)6-5-8-10-3/h4H,1-2,7-8H2,3H3
InChIKeyFCRQWENNRSBAPS-UHFFFAOYSA-N
XLogP1.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-prop-2-enoxypent-1-en-3-yne?
The IUPAC name of 5-methoxy-2-prop-2-enoxypent-1-en-3-yne (CID 134989006) is 5-methoxy-2-prop-2-enoxypent-1-en-3-yne.
What is the SMILES notation for 5-methoxy-2-prop-2-enoxypent-1-en-3-yne?
The canonical SMILES for 5-methoxy-2-prop-2-enoxypent-1-en-3-yne is C=CCOC(=C)C#CCOC.
What is the InChIKey of 5-methoxy-2-prop-2-enoxypent-1-en-3-yne?
The InChIKey is FCRQWENNRSBAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-4-7-11-9(2)6-5-8-10-3/h4H,1-2,7-8H2,3H3.
What are the key properties of 5-methoxy-2-prop-2-enoxypent-1-en-3-yne?
5-methoxy-2-prop-2-enoxypent-1-en-3-yne has a molecular weight of 152.19 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-prop-2-enoxypent-1-en-3-yne is sourced from PubChem (CID 134989006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).