2-methylpropyl 2-(furan-2-yl)acetate

C10H14O3 — CID 156705031

IUPAC2-methylpropyl 2-(furan-2-yl)acetate
SMILESCC(C)COC(=O)Cc1ccco1
InChIInChI=1S/C10H14O3/c1-8(2)7-13-10(11)6-9-4-3-5-12-9/h3-5,8H,6-7H2,1-2H3
InChIKeyHITHNCXGEZIXDS-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.02
Rot. Bonds4

About 2-methylpropyl 2-(furan-2-yl)acetate

2-methylpropyl 2-(furan-2-yl)acetate (PubChem CID 156705031) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-methylpropyl 2-(furan-2-yl)acetate.

Molecular Properties

Compound Name2-methylpropyl 2-(furan-2-yl)acetate
PubChem CID156705031
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2-methylpropyl 2-(furan-2-yl)acetate
SMILESCC(C)COC(=O)Cc1ccco1
InChIInChI=1S/C10H14O3/c1-8(2)7-13-10(11)6-9-4-3-5-12-9/h3-5,8H,6-7H2,1-2H3
InChIKeyHITHNCXGEZIXDS-UHFFFAOYSA-N
XLogP2.02
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methylpropyl 2-(furan-2-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 2-(furan-2-yl)acetate
CID 11447250
1-(furan-2-yl)-5-methylhexan-2-one
CID 83172823
3-ethyl-1-(furan-2-yl)pentan-2-one
CID 115795583
3-ethoxy-1-(furan-2-yl)butan-2-one
CID 83171550
1-(furan-2-yl)-6-methylheptan-2-one
CID 123946123
3-amino-1-(furan-2-yl)-3-methylbutan-2-one
CID 82413823
2-(2-methylpropyl)furan;propanoic acid
CID 158583493
2-methylpropyl 2-(4-aminophenyl)acetate
CID 20504770
1-(furan-2-yl)propan-2-yl carbamate
CID 67843163
1-(furan-2-yl)-3-methylsulfonylbutan-2-one
CID 115795563
ethyl 2-[[2-(furan-2-yl)acetyl]amino]acetate
CID 110484571
2-(furan-2-ylmethylsulfanyl)-1-[4-(2-methylpropoxy)phenyl]ethanone
CID 82050436

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(furan-2-yl)acetate?
The IUPAC name of 2-methylpropyl 2-(furan-2-yl)acetate (CID 156705031) is 2-methylpropyl 2-(furan-2-yl)acetate.
What is the SMILES notation for 2-methylpropyl 2-(furan-2-yl)acetate?
The canonical SMILES for 2-methylpropyl 2-(furan-2-yl)acetate is CC(C)COC(=O)Cc1ccco1.
What is the InChIKey of 2-methylpropyl 2-(furan-2-yl)acetate?
The InChIKey is HITHNCXGEZIXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-8(2)7-13-10(11)6-9-4-3-5-12-9/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 2-methylpropyl 2-(furan-2-yl)acetate?
2-methylpropyl 2-(furan-2-yl)acetate has a molecular weight of 182.22 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(furan-2-yl)acetate is sourced from PubChem (CID 156705031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).