methyl (2R)-2-[(4R,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate

C15H28O5 — CID 53232195

IUPACmethyl (2R)-2-[(4R,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate
SMILESCCCCCCC[C@H]1OC(C)(C)O[C@@H]1[C@@H](O)C(=O)OC
InChIInChI=1S/C15H28O5/c1-5-6-7-8-9-10-11-13(12(16)14(17)18-4)20-15(2,3)19-11/h11-13,16H,5-10H2,1-4H3/t11-,12-,13+/m1/s1
InChIKeyWCPVHMMJNCXLPM-UPJWGTAASA-N
MW288.38 g/mol
LogP2.40
Rot. Bonds8

About methyl (2R)-2-[(4R,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate

methyl (2R)-2-[(4R,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate (PubChem CID 53232195) has the molecular formula C15H28O5 and a molecular weight of 288.38 g/mol. Its IUPAC name is methyl (2R)-2-[(4R,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[(4R,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate
PubChem CID53232195
Molecular FormulaC15H28O5
Molecular Weight288.38 g/mol
Exact Mass288.19
IUPAC Namemethyl (2R)-2-[(4R,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate
SMILESCCCCCCC[C@H]1OC(C)(C)O[C@@H]1[C@@H](O)C(=O)OC
InChIInChI=1S/C15H28O5/c1-5-6-7-8-9-10-11-13(12(16)14(17)18-4)20-15(2,3)19-11/h11-13,16H,5-10H2,1-4H3/t11-,12-,13+/m1/s1
InChIKeyWCPVHMMJNCXLPM-UPJWGTAASA-N
XLogP2.40
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(4R,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate?
The IUPAC name of methyl (2R)-2-[(4R,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate (CID 53232195) is methyl (2R)-2-[(4R,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate.
What is the SMILES notation for methyl (2R)-2-[(4R,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate?
The canonical SMILES for methyl (2R)-2-[(4R,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate is CCCCCCC[C@H]1OC(C)(C)O[C@@H]1[C@@H](O)C(=O)OC.
What is the InChIKey of methyl (2R)-2-[(4R,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate?
The InChIKey is WCPVHMMJNCXLPM-UPJWGTAASA-N. The full InChI is InChI=1S/C15H28O5/c1-5-6-7-8-9-10-11-13(12(16)14(17)18-4)20-15(2,3)19-11/h11-13,16H,5-10H2,1-4H3/t11-,12-,13+/m1/s1.
What are the key properties of methyl (2R)-2-[(4R,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate?
methyl (2R)-2-[(4R,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate has a molecular weight of 288.38 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(4R,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate is sourced from PubChem (CID 53232195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).