(2R,3R)-3-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methoxypropanoic acid

C11H18O6 — CID 11557819

IUPAC(2R,3R)-3-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methoxypropanoic acid
SMILESC=C[C@H]1OC(C)(C)O[C@@H]1[C@@H](O)[C@@H](OC)C(=O)O
InChIInChI=1S/C11H18O6/c1-5-6-8(17-11(2,3)16-6)7(12)9(15-4)10(13)14/h5-9,12H,1H2,2-4H3,(H,13,14)/t6-,7-,8+,9-/m1/s1
InChIKeyGIAMBHQRLNGLOP-LURQLKTLSA-N
MW246.26 g/mol
LogP0.15
Rot. Bonds5

About (2R,3R)-3-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methoxypropanoic acid

(2R,3R)-3-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methoxypropanoic acid (PubChem CID 11557819) has the molecular formula C11H18O6 and a molecular weight of 246.26 g/mol. Its IUPAC name is (2R,3R)-3-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methoxypropanoic acid.

Molecular Properties

Compound Name(2R,3R)-3-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methoxypropanoic acid
PubChem CID11557819
Molecular FormulaC11H18O6
Molecular Weight246.26 g/mol
Exact Mass246.11
IUPAC Name(2R,3R)-3-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methoxypropanoic acid
SMILESC=C[C@H]1OC(C)(C)O[C@@H]1[C@@H](O)[C@@H](OC)C(=O)O
InChIInChI=1S/C11H18O6/c1-5-6-8(17-11(2,3)16-6)7(12)9(15-4)10(13)14/h5-9,12H,1H2,2-4H3,(H,13,14)/t6-,7-,8+,9-/m1/s1
InChIKeyGIAMBHQRLNGLOP-LURQLKTLSA-N
XLogP0.15
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

ethyl 3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 14932710
(4R,4aS,7R,7aR)-7-methoxy-2,2-dimethyl-4-vinyltetrahydro-6H-furo[3,2-d][1,3]dioxin-6-one
CID 49871274
Ethyl 3-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)propanoate
CID 72741386
Ctk1C7303
CID 11435582
(1R,6R,9Z,12S)-2-hydroxy-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadec-9-en-4-one
CID 46237778
[(2R)-hex-5-en-2-yl] 3-[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-3-hydroxypropanoate
CID 101504519
(3S,5S)-5-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyoxolane-2-carbaldehyde
CID 154707625
(4S,5R)-5-[(1S)-1-acetyloxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 164675661
Methyl (2S,3S,4S,5R,6R)-6-(allyloxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate
CID 639386
3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid
CID 11788879
3-(5-Ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid
CID 72960831
ethyl 3-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopropanoate
CID 11447866

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methoxypropanoic acid?
The IUPAC name of (2R,3R)-3-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methoxypropanoic acid (CID 11557819) is (2R,3R)-3-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methoxypropanoic acid.
What is the SMILES notation for (2R,3R)-3-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methoxypropanoic acid?
The canonical SMILES for (2R,3R)-3-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methoxypropanoic acid is C=C[C@H]1OC(C)(C)O[C@@H]1[C@@H](O)[C@@H](OC)C(=O)O.
What is the InChIKey of (2R,3R)-3-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methoxypropanoic acid?
The InChIKey is GIAMBHQRLNGLOP-LURQLKTLSA-N. The full InChI is InChI=1S/C11H18O6/c1-5-6-8(17-11(2,3)16-6)7(12)9(15-4)10(13)14/h5-9,12H,1H2,2-4H3,(H,13,14)/t6-,7-,8+,9-/m1/s1.
What are the key properties of (2R,3R)-3-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methoxypropanoic acid?
(2R,3R)-3-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methoxypropanoic acid has a molecular weight of 246.26 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methoxypropanoic acid is sourced from PubChem (CID 11557819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).