2-ethyl-2-(furan-2-ylmethyl)hexanoic acid

C13H20O3 — CID 62998124

IUPAC2-ethyl-2-(furan-2-ylmethyl)hexanoic acid
SMILESCCCCC(CC)(Cc1ccco1)C(=O)O
InChIInChI=1S/C13H20O3/c1-3-5-8-13(4-2,12(14)15)10-11-7-6-9-16-11/h6-7,9H,3-5,8,10H2,1-2H3,(H,14,15)
InChIKeyWUZXOTSWKAFCCC-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.49
Rot. Bonds7

About 2-ethyl-2-(furan-2-ylmethyl)hexanoic acid

2-ethyl-2-(furan-2-ylmethyl)hexanoic acid (PubChem CID 62998124) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-ethyl-2-(furan-2-ylmethyl)hexanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(furan-2-ylmethyl)hexanoic acid
PubChem CID62998124
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name2-ethyl-2-(furan-2-ylmethyl)hexanoic acid
SMILESCCCCC(CC)(Cc1ccco1)C(=O)O
InChIInChI=1S/C13H20O3/c1-3-5-8-13(4-2,12(14)15)10-11-7-6-9-16-11/h6-7,9H,3-5,8,10H2,1-2H3,(H,14,15)
InChIKeyWUZXOTSWKAFCCC-UHFFFAOYSA-N
XLogP3.49
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-bis(furan-2-ylmethyl)pentanoic acid
CID 174666609
2-(furan-2-ylmethyl)-2-methylbutanoic acid
CID 62998305
3-(furan-2-yl)-2,2-dimethylpropanoic acid
CID 62997938
2-bromo-3-(furan-2-yl)-2-methylpropanoic acid
CID 67609490
2,2-diethylhexanoic acid;λ2-stannane
CID 173193694
CID 87969329
CID 87969329
2-[1,3-bis(furan-2-yl)-2-(furan-2-ylmethyl)propan-2-yl]-4-(furan-2-yl)but-2-enoic acid
CID 54506556
2-ethyl-2-(1,3-thiazol-5-ylmethyl)hexanoic acid
CID 112641498
1-(furan-2-yl)hexan-2-one
CID 3115857
diethyl 2-(furan-2-ylmethyl)-2-propylpropanedioate
CID 103972824
2-amino-2-ethyl-5-(furan-2-ylmethylsulfanyl)pentanoic acid
CID 106807228
2,2-diethylnonadecanoic acid
CID 139750929

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(furan-2-ylmethyl)hexanoic acid?
The IUPAC name of 2-ethyl-2-(furan-2-ylmethyl)hexanoic acid (CID 62998124) is 2-ethyl-2-(furan-2-ylmethyl)hexanoic acid.
What is the SMILES notation for 2-ethyl-2-(furan-2-ylmethyl)hexanoic acid?
The canonical SMILES for 2-ethyl-2-(furan-2-ylmethyl)hexanoic acid is CCCCC(CC)(Cc1ccco1)C(=O)O.
What is the InChIKey of 2-ethyl-2-(furan-2-ylmethyl)hexanoic acid?
The InChIKey is WUZXOTSWKAFCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-3-5-8-13(4-2,12(14)15)10-11-7-6-9-16-11/h6-7,9H,3-5,8,10H2,1-2H3,(H,14,15).
What are the key properties of 2-ethyl-2-(furan-2-ylmethyl)hexanoic acid?
2-ethyl-2-(furan-2-ylmethyl)hexanoic acid has a molecular weight of 224.30 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(furan-2-ylmethyl)hexanoic acid is sourced from PubChem (CID 62998124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).