3-methyl-2-(prop-2-ynoxymethyl)furan

C9H10O2 — CID 102454897

IUPAC3-methyl-2-(prop-2-ynoxymethyl)furan
SMILESC#CCOCc1occc1C
InChIInChI=1S/C9H10O2/c1-3-5-10-7-9-8(2)4-6-11-9/h1,4,6H,5,7H2,2H3
InChIKeyBTEIMZAMIFPCSU-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.74
Rot. Bonds3

About 3-methyl-2-(prop-2-ynoxymethyl)furan

3-methyl-2-(prop-2-ynoxymethyl)furan (PubChem CID 102454897) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-methyl-2-(prop-2-ynoxymethyl)furan.

Molecular Properties

Compound Name3-methyl-2-(prop-2-ynoxymethyl)furan
PubChem CID102454897
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name3-methyl-2-(prop-2-ynoxymethyl)furan
SMILESC#CCOCc1occc1C
InChIInChI=1S/C9H10O2/c1-3-5-10-7-9-8(2)4-6-11-9/h1,4,6H,5,7H2,2H3
InChIKeyBTEIMZAMIFPCSU-UHFFFAOYSA-N
XLogP1.74
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.74
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 3-methyl-2-(prop-2-ynoxymethyl)furan?
The IUPAC name of 3-methyl-2-(prop-2-ynoxymethyl)furan (CID 102454897) is 3-methyl-2-(prop-2-ynoxymethyl)furan.
What is the SMILES notation for 3-methyl-2-(prop-2-ynoxymethyl)furan?
The canonical SMILES for 3-methyl-2-(prop-2-ynoxymethyl)furan is C#CCOCc1occc1C.
What is the InChIKey of 3-methyl-2-(prop-2-ynoxymethyl)furan?
The InChIKey is BTEIMZAMIFPCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-3-5-10-7-9-8(2)4-6-11-9/h1,4,6H,5,7H2,2H3.
What are the key properties of 3-methyl-2-(prop-2-ynoxymethyl)furan?
3-methyl-2-(prop-2-ynoxymethyl)furan has a molecular weight of 150.18 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(prop-2-ynoxymethyl)furan is sourced from PubChem (CID 102454897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).