tert-butyl 3-(furan-2-ylmethoxy)propanoate

C12H18O4 — CID 14833126

IUPACtert-butyl 3-(furan-2-ylmethoxy)propanoate
SMILESCC(C)(C)OC(=O)CCOCc1ccco1
InChIInChI=1S/C12H18O4/c1-12(2,3)16-11(13)6-8-14-9-10-5-4-7-15-10/h4-5,7H,6,8-9H2,1-3H3
InChIKeyVAMZGGYPJILRGD-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.53
Rot. Bonds5

About tert-butyl 3-(furan-2-ylmethoxy)propanoate

tert-butyl 3-(furan-2-ylmethoxy)propanoate (PubChem CID 14833126) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is tert-butyl 3-(furan-2-ylmethoxy)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(furan-2-ylmethoxy)propanoate
PubChem CID14833126
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Nametert-butyl 3-(furan-2-ylmethoxy)propanoate
SMILESCC(C)(C)OC(=O)CCOCc1ccco1
InChIInChI=1S/C12H18O4/c1-12(2,3)16-11(13)6-8-14-9-10-5-4-7-15-10/h4-5,7H,6,8-9H2,1-3H3
InChIKeyVAMZGGYPJILRGD-UHFFFAOYSA-N
XLogP2.53
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-(furan-2-yl)propanoate
CID 63897010
3-(furan-2-ylmethoxy)propanoic acid
CID 24710839
tert-butyl N-[3-[3-(furan-2-ylmethoxy)propylamino]propyl]carbamate
CID 103821653
2-[2-[2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]furan
CID 102488556
methyl 3-(furan-2-ylmethoxy)-2,2-dimethylpropanoate
CID 79622612
tert-butyl 4-[4-(furan-2-yl)butan-2-ylamino]-4-oxobutanoate
CID 106707217
tert-butyl 3-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 18374585
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 162642491
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 170917699
tert-butyl 3-[[N-[2-(furan-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]propanoate
CID 111838879
3-amino-N-[3-(furan-2-ylmethoxy)propyl]-2,2-dimethylpropanamide
CID 113307628
(2S)-2-(furan-2-ylmethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 91666114

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(furan-2-ylmethoxy)propanoate?
The IUPAC name of tert-butyl 3-(furan-2-ylmethoxy)propanoate (CID 14833126) is tert-butyl 3-(furan-2-ylmethoxy)propanoate.
What is the SMILES notation for tert-butyl 3-(furan-2-ylmethoxy)propanoate?
The canonical SMILES for tert-butyl 3-(furan-2-ylmethoxy)propanoate is CC(C)(C)OC(=O)CCOCc1ccco1.
What is the InChIKey of tert-butyl 3-(furan-2-ylmethoxy)propanoate?
The InChIKey is VAMZGGYPJILRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-12(2,3)16-11(13)6-8-14-9-10-5-4-7-15-10/h4-5,7H,6,8-9H2,1-3H3.
What are the key properties of tert-butyl 3-(furan-2-ylmethoxy)propanoate?
tert-butyl 3-(furan-2-ylmethoxy)propanoate has a molecular weight of 226.27 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(furan-2-ylmethoxy)propanoate is sourced from PubChem (CID 14833126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).