methyl (4R)-4-(furan-2-yl)-4-hydroxybut-2-ynoate

C9H8O4 — CID 102087738

IUPACmethyl (4R)-4-(furan-2-yl)-4-hydroxybut-2-ynoate
SMILESCOC(=O)C#C[C@@H](O)c1ccco1
InChIInChI=1S/C9H8O4/c1-12-9(11)5-4-7(10)8-3-2-6-13-8/h2-3,6-7,10H,1H3/t7-/m1/s1
InChIKeyAZTBAVJTVXOJCZ-SSDOTTSWSA-N
MW180.16 g/mol
LogP0.49
Rot. Bonds1

About methyl (4R)-4-(furan-2-yl)-4-hydroxybut-2-ynoate

methyl (4R)-4-(furan-2-yl)-4-hydroxybut-2-ynoate (PubChem CID 102087738) has the molecular formula C9H8O4 and a molecular weight of 180.16 g/mol. Its IUPAC name is methyl (4R)-4-(furan-2-yl)-4-hydroxybut-2-ynoate.

Molecular Properties

Compound Namemethyl (4R)-4-(furan-2-yl)-4-hydroxybut-2-ynoate
PubChem CID102087738
Molecular FormulaC9H8O4
Molecular Weight180.16 g/mol
Exact Mass180.04
IUPAC Namemethyl (4R)-4-(furan-2-yl)-4-hydroxybut-2-ynoate
SMILESCOC(=O)C#C[C@@H](O)c1ccco1
InChIInChI=1S/C9H8O4/c1-12-9(11)5-4-7(10)8-3-2-6-13-8/h2-3,6-7,10H,1H3/t7-/m1/s1
InChIKeyAZTBAVJTVXOJCZ-SSDOTTSWSA-N
XLogP0.49
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1,4-bis(furan-2-yl)but-2-yne-1,4-diol
CID 565624
methyl 2-(furan-2-yl)-2-methoxyacetate
CID 173192079
(1R)-3-cyclopropyl-1-(furan-2-yl)prop-2-yn-1-ol
CID 784916
methyl 2-[(S)-furan-2-yl(hydroxy)methyl]prop-2-enoate
CID 28595486
methyl 4-(furan-2-yl)-4-hydroxy-2-oxobutanoate
CID 135218937
methyl (2S,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoate
CID 638407
methyl N-[2-(furan-2-yl)-2-methoxyethyl]carbamate
CID 121145445
diethyl 2-[[2-[3-(furan-2-yl)-3-hydroxyprop-1-ynyl]phenyl]methyl]propanedioate
CID 102469716
3-(furan-2-yl)pentane-2,4-dione
CID 12548240
N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methoxybutanamide
CID 110899101
methyl 3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]propanoate
CID 60925426
dimethyl 2-[1-(furan-2-yl)prop-2-enyl]propanedioate
CID 13217837

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-(furan-2-yl)-4-hydroxybut-2-ynoate?
The IUPAC name of methyl (4R)-4-(furan-2-yl)-4-hydroxybut-2-ynoate (CID 102087738) is methyl (4R)-4-(furan-2-yl)-4-hydroxybut-2-ynoate.
What is the SMILES notation for methyl (4R)-4-(furan-2-yl)-4-hydroxybut-2-ynoate?
The canonical SMILES for methyl (4R)-4-(furan-2-yl)-4-hydroxybut-2-ynoate is COC(=O)C#C[C@@H](O)c1ccco1.
What is the InChIKey of methyl (4R)-4-(furan-2-yl)-4-hydroxybut-2-ynoate?
The InChIKey is AZTBAVJTVXOJCZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H8O4/c1-12-9(11)5-4-7(10)8-3-2-6-13-8/h2-3,6-7,10H,1H3/t7-/m1/s1.
What are the key properties of methyl (4R)-4-(furan-2-yl)-4-hydroxybut-2-ynoate?
methyl (4R)-4-(furan-2-yl)-4-hydroxybut-2-ynoate has a molecular weight of 180.16 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-(furan-2-yl)-4-hydroxybut-2-ynoate is sourced from PubChem (CID 102087738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).