methyl (E,6R)-6-hydroxy-6-[(4S)-2-oxo-1,3-dioxolan-4-yl]hex-4-enoate

C10H14O6 — CID 134892527

IUPACmethyl (E,6R)-6-hydroxy-6-[(4S)-2-oxo-1,3-dioxolan-4-yl]hex-4-enoate
SMILESCOC(=O)CC/C=C/[C@@H](O)[C@@H]1COC(=O)O1
InChIInChI=1S/C10H14O6/c1-14-9(12)5-3-2-4-7(11)8-6-15-10(13)16-8/h2,4,7-8,11H,3,5-6H2,1H3/b4-2+/t7-,8+/m1/s1
InChIKeyBNCJXJYKUYIRDF-KHMYBQILSA-N
MW230.22 g/mol
LogP0.39
Rot. Bonds5

About methyl (E,6R)-6-hydroxy-6-[(4S)-2-oxo-1,3-dioxolan-4-yl]hex-4-enoate

methyl (E,6R)-6-hydroxy-6-[(4S)-2-oxo-1,3-dioxolan-4-yl]hex-4-enoate (PubChem CID 134892527) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is methyl (E,6R)-6-hydroxy-6-[(4S)-2-oxo-1,3-dioxolan-4-yl]hex-4-enoate.

Molecular Properties

Compound Namemethyl (E,6R)-6-hydroxy-6-[(4S)-2-oxo-1,3-dioxolan-4-yl]hex-4-enoate
PubChem CID134892527
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Namemethyl (E,6R)-6-hydroxy-6-[(4S)-2-oxo-1,3-dioxolan-4-yl]hex-4-enoate
SMILESCOC(=O)CC/C=C/[C@@H](O)[C@@H]1COC(=O)O1
InChIInChI=1S/C10H14O6/c1-14-9(12)5-3-2-4-7(11)8-6-15-10(13)16-8/h2,4,7-8,11H,3,5-6H2,1H3/b4-2+/t7-,8+/m1/s1
InChIKeyBNCJXJYKUYIRDF-KHMYBQILSA-N
XLogP0.39
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl (E,6R)-6-hydroxy-6-[(4S)-2-oxo-1,3-dioxolan-4-yl]hex-4-enoate with MolForge

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Related Compounds

(Z)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)hex-4-enoic acid
CID 101166228
ethyl (S,z)-3-hydroxy-5-(2,2,4-trimethyl-1,3-dioxolan-4-yl)pent-4-enoate
CID 154585836
methyl (Z)-7-[(4S,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-5-enoate
CID 10401036
methyl (E,2S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypent-3-enoate
CID 10561436
ethyl (Z)-5-[(4S,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoate
CID 11043441
methyl (Z)-5-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoate
CID 53659584
Ethyl 5-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoate
CID 54401352
ethyl 5-[(4S,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoate
CID 57192496
ethyl (Z)-5-[(4S,5R)-5-(hydroxymethyl)-2,2-bis(prop-2-enyl)-1,3-dioxolan-4-yl]pent-4-enoate
CID 70265707
ethyl 5-[(4S,5R)-5-(hydroxymethyl)-2,2-bis(prop-2-enyl)-1,3-dioxolan-4-yl]pent-4-enoate
CID 70265708
methyl (Z)-6-[(4S,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-4-enoate
CID 71519279
(Z,4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxybut-2-enoic acid
CID 89451377

Frequently Asked Questions

What is the IUPAC name of methyl (E,6R)-6-hydroxy-6-[(4S)-2-oxo-1,3-dioxolan-4-yl]hex-4-enoate?
The IUPAC name of methyl (E,6R)-6-hydroxy-6-[(4S)-2-oxo-1,3-dioxolan-4-yl]hex-4-enoate (CID 134892527) is methyl (E,6R)-6-hydroxy-6-[(4S)-2-oxo-1,3-dioxolan-4-yl]hex-4-enoate.
What is the SMILES notation for methyl (E,6R)-6-hydroxy-6-[(4S)-2-oxo-1,3-dioxolan-4-yl]hex-4-enoate?
The canonical SMILES for methyl (E,6R)-6-hydroxy-6-[(4S)-2-oxo-1,3-dioxolan-4-yl]hex-4-enoate is COC(=O)CC/C=C/[C@@H](O)[C@@H]1COC(=O)O1.
What is the InChIKey of methyl (E,6R)-6-hydroxy-6-[(4S)-2-oxo-1,3-dioxolan-4-yl]hex-4-enoate?
The InChIKey is BNCJXJYKUYIRDF-KHMYBQILSA-N. The full InChI is InChI=1S/C10H14O6/c1-14-9(12)5-3-2-4-7(11)8-6-15-10(13)16-8/h2,4,7-8,11H,3,5-6H2,1H3/b4-2+/t7-,8+/m1/s1.
What are the key properties of methyl (E,6R)-6-hydroxy-6-[(4S)-2-oxo-1,3-dioxolan-4-yl]hex-4-enoate?
methyl (E,6R)-6-hydroxy-6-[(4S)-2-oxo-1,3-dioxolan-4-yl]hex-4-enoate has a molecular weight of 230.22 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,6R)-6-hydroxy-6-[(4S)-2-oxo-1,3-dioxolan-4-yl]hex-4-enoate is sourced from PubChem (CID 134892527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).