2-(dipropoxymethyl)furan

C11H18O3 — CID 14296431

IUPAC2-(dipropoxymethyl)furan
SMILESCCCOC(OCCC)c1ccco1
InChIInChI=1S/C11H18O3/c1-3-7-13-11(14-8-4-2)10-6-5-9-12-10/h5-6,9,11H,3-4,7-8H2,1-2H3
InChIKeySPTCCXLHXZTKOQ-UHFFFAOYSA-N
MW198.26 g/mol
LogP3.13
Rot. Bonds7

About 2-(dipropoxymethyl)furan

2-(dipropoxymethyl)furan (PubChem CID 14296431) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-(dipropoxymethyl)furan.

Molecular Properties

Compound Name2-(dipropoxymethyl)furan
PubChem CID14296431
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2-(dipropoxymethyl)furan
SMILESCCCOC(OCCC)c1ccco1
InChIInChI=1S/C11H18O3/c1-3-7-13-11(14-8-4-2)10-6-5-9-12-10/h5-6,9,11H,3-4,7-8H2,1-2H3
InChIKeySPTCCXLHXZTKOQ-UHFFFAOYSA-N
XLogP3.13
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[1-(furan-2-yl)pentoxy]ethanol
CID 162405799
1-(furan-2-yl)-N-(2-pentan-2-yloxyethyl)ethanamine
CID 102987416
N-[1-(furan-2-yl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79574726
furan-2-yl-(4-propoxyphenyl)methanol
CID 62796281
N-[1-(furan-2-yl)-2,2-dimethoxyethyl]propan-1-amine
CID 79493173
1-(furan-2-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62632133
(1S)-N-(2-ethoxyethyl)-1-(furan-2-yl)ethanamine
CID 81399975
2-[diethoxyphosphoryl(ethoxy)methyl]furan
CID 71381055
2-(1,2-diethoxyethyl)furan
CID 566398
1-(furan-2-yl)butan-1-amine;hydrochloride
CID 86262899
1-(furan-2-yl)propane-1-thiol
CID 62631809
N-[1-(furan-2-yl)propyl]-4-propan-2-yloxybutan-1-amine
CID 106007637

Frequently Asked Questions

What is the IUPAC name of 2-(dipropoxymethyl)furan?
The IUPAC name of 2-(dipropoxymethyl)furan (CID 14296431) is 2-(dipropoxymethyl)furan.
What is the SMILES notation for 2-(dipropoxymethyl)furan?
The canonical SMILES for 2-(dipropoxymethyl)furan is CCCOC(OCCC)c1ccco1.
What is the InChIKey of 2-(dipropoxymethyl)furan?
The InChIKey is SPTCCXLHXZTKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-3-7-13-11(14-8-4-2)10-6-5-9-12-10/h5-6,9,11H,3-4,7-8H2,1-2H3.
What are the key properties of 2-(dipropoxymethyl)furan?
2-(dipropoxymethyl)furan has a molecular weight of 198.26 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropoxymethyl)furan is sourced from PubChem (CID 14296431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).