2-[1,2-bis(prop-2-ynoxy)ethyl]furan

C12H12O3 — CID 13448864

IUPAC2-[1,2-bis(prop-2-ynoxy)ethyl]furan
SMILESC#CCOCC(OCC#C)c1ccco1
InChIInChI=1S/C12H12O3/c1-3-7-13-10-12(14-8-4-2)11-6-5-9-15-11/h1-2,5-6,9,12H,7-8,10H2
InChIKeyQYZQEBFREWJMJY-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.62
Rot. Bonds6

About 2-[1,2-bis(prop-2-ynoxy)ethyl]furan

2-[1,2-bis(prop-2-ynoxy)ethyl]furan (PubChem CID 13448864) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 2-[1,2-bis(prop-2-ynoxy)ethyl]furan.

Molecular Properties

Compound Name2-[1,2-bis(prop-2-ynoxy)ethyl]furan
PubChem CID13448864
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name2-[1,2-bis(prop-2-ynoxy)ethyl]furan
SMILESC#CCOCC(OCC#C)c1ccco1
InChIInChI=1S/C12H12O3/c1-3-7-13-10-12(14-8-4-2)11-6-5-9-15-11/h1-2,5-6,9,12H,7-8,10H2
InChIKeyQYZQEBFREWJMJY-UHFFFAOYSA-N
XLogP1.62
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1,2-diethoxyethyl)furan
CID 566398
2-(2-ethoxy-1-methoxyethyl)furan
CID 573718
(1S)-1-phenyl-2-prop-2-ynoxyethanamine
CID 146597037
1-(furan-2-yl)-2-[(4-prop-2-ynoxyphenyl)methylamino]ethanol
CID 111579038
1-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 24713995
N-[(1S)-1-(furan-2-yl)ethyl]but-3-yn-1-amine
CID 81399861
1-(furan-2-ylmethoxy)-3-(prop-2-ynylamino)propan-2-ol
CID 60649357
2-methyl-1-prop-2-ynoxypropane
CID 57470525
2-(dipropoxymethyl)furan
CID 14296431
5-(1-prop-2-ynoxypropan-2-yl)-1,2-oxazole
CID 173185286
3-methyl-2-(prop-2-ynoxymethyl)furan
CID 102454897
2-[(4-chlorophenyl)methoxy]-2-(furan-2-yl)ethanamine
CID 65124780

Frequently Asked Questions

What is the IUPAC name of 2-[1,2-bis(prop-2-ynoxy)ethyl]furan?
The IUPAC name of 2-[1,2-bis(prop-2-ynoxy)ethyl]furan (CID 13448864) is 2-[1,2-bis(prop-2-ynoxy)ethyl]furan.
What is the SMILES notation for 2-[1,2-bis(prop-2-ynoxy)ethyl]furan?
The canonical SMILES for 2-[1,2-bis(prop-2-ynoxy)ethyl]furan is C#CCOCC(OCC#C)c1ccco1.
What is the InChIKey of 2-[1,2-bis(prop-2-ynoxy)ethyl]furan?
The InChIKey is QYZQEBFREWJMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-3-7-13-10-12(14-8-4-2)11-6-5-9-15-11/h1-2,5-6,9,12H,7-8,10H2.
What are the key properties of 2-[1,2-bis(prop-2-ynoxy)ethyl]furan?
2-[1,2-bis(prop-2-ynoxy)ethyl]furan has a molecular weight of 204.22 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2-bis(prop-2-ynoxy)ethyl]furan is sourced from PubChem (CID 13448864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).