prop-2-enyl (2R,3S,4S,5R)-2-hydroxy-9-methoxy-2,3-dimethyl-7-oxo-1,6-dioxaspiro[4.4]non-8-ene-4-carboxylate

C14H18O7 — CID 71618881

IUPACprop-2-enyl (2R,3S,4S,5R)-2-hydroxy-9-methoxy-2,3-dimethyl-7-oxo-1,6-dioxaspiro[4.4]non-8-ene-4-carboxylate
SMILESC=CCOC(=O)[C@H]1[C@H](C)[C@](C)(O)O[C@@]12OC(=O)C=C2OC
InChIInChI=1S/C14H18O7/c1-5-6-19-12(16)11-8(2)13(3,17)21-14(11)9(18-4)7-10(15)20-14/h5,7-8,11,17H,1,6H2,2-4H3/t8-,11+,13+,14+/m0/s1
InChIKeyMPOMECGSMGSAJM-UBVLEBKSSA-N
MW298.29 g/mol
LogP0.49
Rot. Bonds4

About prop-2-enyl (2R,3S,4S,5R)-2-hydroxy-9-methoxy-2,3-dimethyl-7-oxo-1,6-dioxaspiro[4.4]non-8-ene-4-carboxylate

prop-2-enyl (2R,3S,4S,5R)-2-hydroxy-9-methoxy-2,3-dimethyl-7-oxo-1,6-dioxaspiro[4.4]non-8-ene-4-carboxylate (PubChem CID 71618881) has the molecular formula C14H18O7 and a molecular weight of 298.29 g/mol. Its IUPAC name is prop-2-enyl (2R,3S,4S,5R)-2-hydroxy-9-methoxy-2,3-dimethyl-7-oxo-1,6-dioxaspiro[4.4]non-8-ene-4-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (2R,3S,4S,5R)-2-hydroxy-9-methoxy-2,3-dimethyl-7-oxo-1,6-dioxaspiro[4.4]non-8-ene-4-carboxylate
PubChem CID71618881
Molecular FormulaC14H18O7
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC Nameprop-2-enyl (2R,3S,4S,5R)-2-hydroxy-9-methoxy-2,3-dimethyl-7-oxo-1,6-dioxaspiro[4.4]non-8-ene-4-carboxylate
SMILESC=CCOC(=O)[C@H]1[C@H](C)[C@](C)(O)O[C@@]12OC(=O)C=C2OC
InChIInChI=1S/C14H18O7/c1-5-6-19-12(16)11-8(2)13(3,17)21-14(11)9(18-4)7-10(15)20-14/h5,7-8,11,17H,1,6H2,2-4H3/t8-,11+,13+,14+/m0/s1
InChIKeyMPOMECGSMGSAJM-UBVLEBKSSA-N
XLogP0.49
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze prop-2-enyl (2R,3S,4S,5R)-2-hydroxy-9-methoxy-2,3-dimethyl-7-oxo-1,6-dioxaspiro[4.4]non-8-ene-4-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2R,3S,4S,5R)-2-hydroxy-9-methoxy-2,3-dimethyl-7-oxo-1,6-dioxaspiro[4.4]non-8-ene-4-carboxylate?
The IUPAC name of prop-2-enyl (2R,3S,4S,5R)-2-hydroxy-9-methoxy-2,3-dimethyl-7-oxo-1,6-dioxaspiro[4.4]non-8-ene-4-carboxylate (CID 71618881) is prop-2-enyl (2R,3S,4S,5R)-2-hydroxy-9-methoxy-2,3-dimethyl-7-oxo-1,6-dioxaspiro[4.4]non-8-ene-4-carboxylate.
What is the SMILES notation for prop-2-enyl (2R,3S,4S,5R)-2-hydroxy-9-methoxy-2,3-dimethyl-7-oxo-1,6-dioxaspiro[4.4]non-8-ene-4-carboxylate?
The canonical SMILES for prop-2-enyl (2R,3S,4S,5R)-2-hydroxy-9-methoxy-2,3-dimethyl-7-oxo-1,6-dioxaspiro[4.4]non-8-ene-4-carboxylate is C=CCOC(=O)[C@H]1[C@H](C)[C@](C)(O)O[C@@]12OC(=O)C=C2OC.
What is the InChIKey of prop-2-enyl (2R,3S,4S,5R)-2-hydroxy-9-methoxy-2,3-dimethyl-7-oxo-1,6-dioxaspiro[4.4]non-8-ene-4-carboxylate?
The InChIKey is MPOMECGSMGSAJM-UBVLEBKSSA-N. The full InChI is InChI=1S/C14H18O7/c1-5-6-19-12(16)11-8(2)13(3,17)21-14(11)9(18-4)7-10(15)20-14/h5,7-8,11,17H,1,6H2,2-4H3/t8-,11+,13+,14+/m0/s1.
What are the key properties of prop-2-enyl (2R,3S,4S,5R)-2-hydroxy-9-methoxy-2,3-dimethyl-7-oxo-1,6-dioxaspiro[4.4]non-8-ene-4-carboxylate?
prop-2-enyl (2R,3S,4S,5R)-2-hydroxy-9-methoxy-2,3-dimethyl-7-oxo-1,6-dioxaspiro[4.4]non-8-ene-4-carboxylate has a molecular weight of 298.29 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2R,3S,4S,5R)-2-hydroxy-9-methoxy-2,3-dimethyl-7-oxo-1,6-dioxaspiro[4.4]non-8-ene-4-carboxylate is sourced from PubChem (CID 71618881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).