(2R)-2-[(4R,5R)-5-[(Z,1R)-1-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyran-6-one

C15H22O5 — CID 11196797

IUPAC(2R)-2-[(4R,5R)-5-[(Z,1R)-1-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyran-6-one
SMILESC/C=C\C[C@@H](O)[C@H]1OC(C)(C)O[C@@H]1[C@H]1CC=CC(=O)O1
InChIInChI=1S/C15H22O5/c1-4-5-7-10(16)13-14(20-15(2,3)19-13)11-8-6-9-12(17)18-11/h4-6,9-11,13-14,16H,7-8H2,1-3H3/b5-4-/t10-,11-,13-,14-/m1/s1
InChIKeyMFRGQDOPWVTBLL-XKRGKWIDSA-N
MW282.34 g/mol
LogP1.71
Rot. Bonds4

About (2R)-2-[(4R,5R)-5-[(Z,1R)-1-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyran-6-one

(2R)-2-[(4R,5R)-5-[(Z,1R)-1-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyran-6-one (PubChem CID 11196797) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2R)-2-[(4R,5R)-5-[(Z,1R)-1-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-[(4R,5R)-5-[(Z,1R)-1-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyran-6-one
PubChem CID11196797
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name(2R)-2-[(4R,5R)-5-[(Z,1R)-1-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyran-6-one
SMILESC/C=C\C[C@@H](O)[C@H]1OC(C)(C)O[C@@H]1[C@H]1CC=CC(=O)O1
InChIInChI=1S/C15H22O5/c1-4-5-7-10(16)13-14(20-15(2,3)19-13)11-8-6-9-12(17)18-11/h4-6,9-11,13-14,16H,7-8H2,1-3H3/b5-4-/t10-,11-,13-,14-/m1/s1
InChIKeyMFRGQDOPWVTBLL-XKRGKWIDSA-N
XLogP1.71
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-2-[(4R,5R)-5-[(Z,1R)-1-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyran-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4R,5R)-5-[(Z,1R)-1-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-[(4R,5R)-5-[(Z,1R)-1-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyran-6-one (CID 11196797) is (2R)-2-[(4R,5R)-5-[(Z,1R)-1-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-[(4R,5R)-5-[(Z,1R)-1-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-[(4R,5R)-5-[(Z,1R)-1-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyran-6-one is C/C=C\C[C@@H](O)[C@H]1OC(C)(C)O[C@@H]1[C@H]1CC=CC(=O)O1.
What is the InChIKey of (2R)-2-[(4R,5R)-5-[(Z,1R)-1-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyran-6-one?
The InChIKey is MFRGQDOPWVTBLL-XKRGKWIDSA-N. The full InChI is InChI=1S/C15H22O5/c1-4-5-7-10(16)13-14(20-15(2,3)19-13)11-8-6-9-12(17)18-11/h4-6,9-11,13-14,16H,7-8H2,1-3H3/b5-4-/t10-,11-,13-,14-/m1/s1.
What are the key properties of (2R)-2-[(4R,5R)-5-[(Z,1R)-1-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyran-6-one?
(2R)-2-[(4R,5R)-5-[(Z,1R)-1-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyran-6-one has a molecular weight of 282.34 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4R,5R)-5-[(Z,1R)-1-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 11196797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).