[(2R)-but-3-en-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate

C14H22O4 — CID 11128865

IUPAC[(2R)-but-3-en-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate
SMILESC=CCCCC1(CC(=O)O[C@H](C)C=C)OCCO1
InChIInChI=1S/C14H22O4/c1-4-6-7-8-14(16-9-10-17-14)11-13(15)18-12(3)5-2/h4-5,12H,1-2,6-11H2,3H3/t12-/m1/s1
InChIKeyROPIZIUZFPGCSV-GFCCVEGCSA-N
MW254.33 g/mol
LogP2.59
Rot. Bonds8

About [(2R)-but-3-en-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate

[(2R)-but-3-en-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate (PubChem CID 11128865) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is [(2R)-but-3-en-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate.

Molecular Properties

Compound Name[(2R)-but-3-en-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate
PubChem CID11128865
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name[(2R)-but-3-en-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate
SMILESC=CCCCC1(CC(=O)O[C@H](C)C=C)OCCO1
InChIInChI=1S/C14H22O4/c1-4-6-7-8-14(16-9-10-17-14)11-13(15)18-12(3)5-2/h4-5,12H,1-2,6-11H2,3H3/t12-/m1/s1
InChIKeyROPIZIUZFPGCSV-GFCCVEGCSA-N
XLogP2.59
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R,5R)-5-heptyl-4-oct-1-en-3-yloxyoxolan-2-one
CID 44426428
Methyl 4-((4S,5R)-2,2-dimethyl-5-vinyl-1,3-dioxolan-4-yl)butanoate
CID 102475808
(2S,6S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyloxan-4-one
CID 10955259
[(1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]butyl] hex-5-enoate
CID 11415222
[(2R)-but-3-yn-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate
CID 11807142
Ethyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)acetate
CID 14545747
Methyl 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate
CID 85667171
methyl (4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 102195926
methyl (4S,5R)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 124672227
[(1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]butyl] 4-oxohexanoate
CID 134833047
(2S,6S)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-ethenyloxan-4-one
CID 134850273
methyl (4R,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 10353186

Frequently Asked Questions

What is the IUPAC name of [(2R)-but-3-en-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate?
The IUPAC name of [(2R)-but-3-en-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate (CID 11128865) is [(2R)-but-3-en-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate.
What is the SMILES notation for [(2R)-but-3-en-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate?
The canonical SMILES for [(2R)-but-3-en-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate is C=CCCCC1(CC(=O)O[C@H](C)C=C)OCCO1.
What is the InChIKey of [(2R)-but-3-en-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate?
The InChIKey is ROPIZIUZFPGCSV-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22O4/c1-4-6-7-8-14(16-9-10-17-14)11-13(15)18-12(3)5-2/h4-5,12H,1-2,6-11H2,3H3/t12-/m1/s1.
What are the key properties of [(2R)-but-3-en-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate?
[(2R)-but-3-en-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate has a molecular weight of 254.33 g/mol, XLogP of 2.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-but-3-en-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate is sourced from PubChem (CID 11128865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).