2,3-bis(propoxymethyl)furan

C12H20O3 — CID 141282327

IUPAC2,3-bis(propoxymethyl)furan
SMILESCCCOCc1ccoc1COCCC
InChIInChI=1S/C12H20O3/c1-3-6-13-9-11-5-8-15-12(11)10-14-7-4-2/h5,8H,3-4,6-7,9-10H2,1-2H3
InChIKeyOHIJXVDCBCKGHT-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.13
Rot. Bonds8

About 2,3-bis(propoxymethyl)furan

2,3-bis(propoxymethyl)furan (PubChem CID 141282327) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2,3-bis(propoxymethyl)furan.

Molecular Properties

Compound Name2,3-bis(propoxymethyl)furan
PubChem CID141282327
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2,3-bis(propoxymethyl)furan
SMILESCCCOCc1ccoc1COCCC
InChIInChI=1S/C12H20O3/c1-3-6-13-9-11-5-8-15-12(11)10-14-7-4-2/h5,8H,3-4,6-7,9-10H2,1-2H3
InChIKeyOHIJXVDCBCKGHT-UHFFFAOYSA-N
XLogP3.13
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(2-propoxyethoxymethyl)furan-2-yl]methyl]ethanamine
CID 63685510
N-[[3-(2-ethoxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62444510
N-[[2-(heptoxymethyl)furan-3-yl]methyl]ethanamine
CID 62455259
N-[[3-(octoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 63490926
N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445527
N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 66226372
N-[[2-(heptoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62455635
N-[[2-(hexoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62456817
2,3-bis(oxiran-2-ylmethoxymethyl)furan
CID 176654552
N-[[3-(hexoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62455337
N-[[2-(but-3-enoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62442858
N-[[3-(octoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62457612

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(propoxymethyl)furan?
The IUPAC name of 2,3-bis(propoxymethyl)furan (CID 141282327) is 2,3-bis(propoxymethyl)furan.
What is the SMILES notation for 2,3-bis(propoxymethyl)furan?
The canonical SMILES for 2,3-bis(propoxymethyl)furan is CCCOCc1ccoc1COCCC.
What is the InChIKey of 2,3-bis(propoxymethyl)furan?
The InChIKey is OHIJXVDCBCKGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-3-6-13-9-11-5-8-15-12(11)10-14-7-4-2/h5,8H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of 2,3-bis(propoxymethyl)furan?
2,3-bis(propoxymethyl)furan has a molecular weight of 212.29 g/mol, XLogP of 3.13, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(propoxymethyl)furan is sourced from PubChem (CID 141282327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).