(3R)-3-(furan-2-yl)-4-methylpentanoate

C10H13O3- — CID 7258657

IUPAC(3R)-3-(furan-2-yl)-4-methylpentanoate
SMILESCC(C)[C@@H](CC(=O)[O-])c1ccco1
InChIInChI=1S/C10H14O3/c1-7(2)8(6-10(11)12)9-4-3-5-13-9/h3-5,7-8H,6H2,1-2H3,(H,11,12)/p-1/t8-/m1/s1
InChIKeyJSAZKIOEYOOAEK-MRVPVSSYSA-M
MW181.21 g/mol
LogP1.16
Rot. Bonds4

About (3R)-3-(furan-2-yl)-4-methylpentanoate

(3R)-3-(furan-2-yl)-4-methylpentanoate (PubChem CID 7258657) has the molecular formula C10H13O3- and a molecular weight of 181.21 g/mol. Its IUPAC name is (3R)-3-(furan-2-yl)-4-methylpentanoate.

Molecular Properties

Compound Name(3R)-3-(furan-2-yl)-4-methylpentanoate
PubChem CID7258657
Molecular FormulaC10H13O3-
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name(3R)-3-(furan-2-yl)-4-methylpentanoate
SMILESCC(C)[C@@H](CC(=O)[O-])c1ccco1
InChIInChI=1S/C10H14O3/c1-7(2)8(6-10(11)12)9-4-3-5-13-9/h3-5,7-8H,6H2,1-2H3,(H,11,12)/p-1/t8-/m1/s1
InChIKeyJSAZKIOEYOOAEK-MRVPVSSYSA-M
XLogP1.16
TPSA53.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-azaniumyl-3-(furan-2-yl)propanoate
CID 7145288
(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propanoate
CID 6935403
4-(furan-2-yl)-N,5-dimethylhexan-2-amine
CID 44719969
3-(furan-2-yl)-4-methyl-N-[2-(5-methylpyrazol-1-yl)ethyl]pentanamide
CID 6499047
2-(furan-2-yl)-2-hydroxyacetate
CID 4549959
(3S)-3-(4-methoxyphenyl)-4-methylpentanoate
CID 7083022
2-(1,3-dinitrobutan-2-yl)furan
CID 73035350
2-[furan-2-ylmethyl(propan-2-yl)azaniumyl]acetate
CID 39239769
4-chloro-4-(furan-2-yl)butan-2-one
CID 70536237
(1S,2R)-1-(furan-2-yl)-2-nitropropan-1-ol
CID 44604534
diethyl 2-[(1S)-1-(furan-2-yl)-3-oxobutyl]propanedioate
CID 12966059
methyl 4-(furan-2-yl)-4-hydroxy-2-oxobutanoate
CID 135218937

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(furan-2-yl)-4-methylpentanoate?
The IUPAC name of (3R)-3-(furan-2-yl)-4-methylpentanoate (CID 7258657) is (3R)-3-(furan-2-yl)-4-methylpentanoate.
What is the SMILES notation for (3R)-3-(furan-2-yl)-4-methylpentanoate?
The canonical SMILES for (3R)-3-(furan-2-yl)-4-methylpentanoate is CC(C)[C@@H](CC(=O)[O-])c1ccco1.
What is the InChIKey of (3R)-3-(furan-2-yl)-4-methylpentanoate?
The InChIKey is JSAZKIOEYOOAEK-MRVPVSSYSA-M. The full InChI is InChI=1S/C10H14O3/c1-7(2)8(6-10(11)12)9-4-3-5-13-9/h3-5,7-8H,6H2,1-2H3,(H,11,12)/p-1/t8-/m1/s1.
What are the key properties of (3R)-3-(furan-2-yl)-4-methylpentanoate?
(3R)-3-(furan-2-yl)-4-methylpentanoate has a molecular weight of 181.21 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(furan-2-yl)-4-methylpentanoate is sourced from PubChem (CID 7258657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).