methyl 2-[(3aR,6R,6aR)-2,2-dimethyl-5-[(Z)-pent-1-enyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate

C15H24O5 — CID 16664771

IUPACmethyl 2-[(3aR,6R,6aR)-2,2-dimethyl-5-[(Z)-pent-1-enyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate
SMILESCCC/C=C\C1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1CC(=O)OC
InChIInChI=1S/C15H24O5/c1-5-6-7-8-11-10(9-12(16)17-4)13-14(18-11)20-15(2,3)19-13/h7-8,10-11,13-14H,5-6,9H2,1-4H3/b8-7-/t10-,11?,13-,14-/m1/s1
InChIKeyDWSGPPZYHGJJQD-PBPFVULBSA-N
MW284.35 g/mol
LogP2.40
Rot. Bonds5

About methyl 2-[(3aR,6R,6aR)-2,2-dimethyl-5-[(Z)-pent-1-enyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate

methyl 2-[(3aR,6R,6aR)-2,2-dimethyl-5-[(Z)-pent-1-enyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate (PubChem CID 16664771) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is methyl 2-[(3aR,6R,6aR)-2,2-dimethyl-5-[(Z)-pent-1-enyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3aR,6R,6aR)-2,2-dimethyl-5-[(Z)-pent-1-enyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate
PubChem CID16664771
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Namemethyl 2-[(3aR,6R,6aR)-2,2-dimethyl-5-[(Z)-pent-1-enyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate
SMILESCCC/C=C\C1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1CC(=O)OC
InChIInChI=1S/C15H24O5/c1-5-6-7-8-11-10(9-12(16)17-4)13-14(18-11)20-15(2,3)19-13/h7-8,10-11,13-14H,5-6,9H2,1-4H3/b8-7-/t10-,11?,13-,14-/m1/s1
InChIKeyDWSGPPZYHGJJQD-PBPFVULBSA-N
XLogP2.40
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-[(3aR,6R,6aR)-2,2-dimethyl-5-[(Z)-pent-1-enyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3aR,6R,6aR)-2,2-dimethyl-5-[(Z)-pent-1-enyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate?
The IUPAC name of methyl 2-[(3aR,6R,6aR)-2,2-dimethyl-5-[(Z)-pent-1-enyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate (CID 16664771) is methyl 2-[(3aR,6R,6aR)-2,2-dimethyl-5-[(Z)-pent-1-enyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate.
What is the SMILES notation for methyl 2-[(3aR,6R,6aR)-2,2-dimethyl-5-[(Z)-pent-1-enyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate?
The canonical SMILES for methyl 2-[(3aR,6R,6aR)-2,2-dimethyl-5-[(Z)-pent-1-enyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate is CCC/C=C\C1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1CC(=O)OC.
What is the InChIKey of methyl 2-[(3aR,6R,6aR)-2,2-dimethyl-5-[(Z)-pent-1-enyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate?
The InChIKey is DWSGPPZYHGJJQD-PBPFVULBSA-N. The full InChI is InChI=1S/C15H24O5/c1-5-6-7-8-11-10(9-12(16)17-4)13-14(18-11)20-15(2,3)19-13/h7-8,10-11,13-14H,5-6,9H2,1-4H3/b8-7-/t10-,11?,13-,14-/m1/s1.
What are the key properties of methyl 2-[(3aR,6R,6aR)-2,2-dimethyl-5-[(Z)-pent-1-enyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate?
methyl 2-[(3aR,6R,6aR)-2,2-dimethyl-5-[(Z)-pent-1-enyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate has a molecular weight of 284.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3aR,6R,6aR)-2,2-dimethyl-5-[(Z)-pent-1-enyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate is sourced from PubChem (CID 16664771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).