(3aR,5R,6Z,6aR)-5-ethenyl-2,2-dimethyl-6-(2-prop-2-enoxyethylidene)-3a,6a-dihydrofuro[2,3-d][1,3]dioxole

C14H20O4 — CID 53475479

IUPAC(3aR,5R,6Z,6aR)-5-ethenyl-2,2-dimethyl-6-(2-prop-2-enoxyethylidene)-3a,6a-dihydrofuro[2,3-d][1,3]dioxole
SMILESC=CCOC/C=C1\[C@H]2OC(C)(C)O[C@H]2O[C@@H]1C=C
InChIInChI=1S/C14H20O4/c1-5-8-15-9-7-10-11(6-2)16-13-12(10)17-14(3,4)18-13/h5-7,11-13H,1-2,8-9H2,3-4H3/b10-7-/t11-,12-,13-/m1/s1
InChIKeyVOZYQXDFCSGQHT-QVJALUKGSA-N
MW252.31 g/mol
LogP2.18
Rot. Bonds5

About (3aR,5R,6Z,6aR)-5-ethenyl-2,2-dimethyl-6-(2-prop-2-enoxyethylidene)-3a,6a-dihydrofuro[2,3-d][1,3]dioxole

(3aR,5R,6Z,6aR)-5-ethenyl-2,2-dimethyl-6-(2-prop-2-enoxyethylidene)-3a,6a-dihydrofuro[2,3-d][1,3]dioxole (PubChem CID 53475479) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is (3aR,5R,6Z,6aR)-5-ethenyl-2,2-dimethyl-6-(2-prop-2-enoxyethylidene)-3a,6a-dihydrofuro[2,3-d][1,3]dioxole.

Molecular Properties

Compound Name(3aR,5R,6Z,6aR)-5-ethenyl-2,2-dimethyl-6-(2-prop-2-enoxyethylidene)-3a,6a-dihydrofuro[2,3-d][1,3]dioxole
PubChem CID53475479
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name(3aR,5R,6Z,6aR)-5-ethenyl-2,2-dimethyl-6-(2-prop-2-enoxyethylidene)-3a,6a-dihydrofuro[2,3-d][1,3]dioxole
SMILESC=CCOC/C=C1\[C@H]2OC(C)(C)O[C@H]2O[C@@H]1C=C
InChIInChI=1S/C14H20O4/c1-5-8-15-9-7-10-11(6-2)16-13-12(10)17-14(3,4)18-13/h5-7,11-13H,1-2,8-9H2,3-4H3/b10-7-/t11-,12-,13-/m1/s1
InChIKeyVOZYQXDFCSGQHT-QVJALUKGSA-N
XLogP2.18
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.18
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'}

Analyze (3aR,5R,6Z,6aR)-5-ethenyl-2,2-dimethyl-6-(2-prop-2-enoxyethylidene)-3a,6a-dihydrofuro[2,3-d][1,3]dioxole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6Z,6aR)-5-ethenyl-2,2-dimethyl-6-(2-prop-2-enoxyethylidene)-3a,6a-dihydrofuro[2,3-d][1,3]dioxole?
The IUPAC name of (3aR,5R,6Z,6aR)-5-ethenyl-2,2-dimethyl-6-(2-prop-2-enoxyethylidene)-3a,6a-dihydrofuro[2,3-d][1,3]dioxole (CID 53475479) is (3aR,5R,6Z,6aR)-5-ethenyl-2,2-dimethyl-6-(2-prop-2-enoxyethylidene)-3a,6a-dihydrofuro[2,3-d][1,3]dioxole.
What is the SMILES notation for (3aR,5R,6Z,6aR)-5-ethenyl-2,2-dimethyl-6-(2-prop-2-enoxyethylidene)-3a,6a-dihydrofuro[2,3-d][1,3]dioxole?
The canonical SMILES for (3aR,5R,6Z,6aR)-5-ethenyl-2,2-dimethyl-6-(2-prop-2-enoxyethylidene)-3a,6a-dihydrofuro[2,3-d][1,3]dioxole is C=CCOC/C=C1\[C@H]2OC(C)(C)O[C@H]2O[C@@H]1C=C.
What is the InChIKey of (3aR,5R,6Z,6aR)-5-ethenyl-2,2-dimethyl-6-(2-prop-2-enoxyethylidene)-3a,6a-dihydrofuro[2,3-d][1,3]dioxole?
The InChIKey is VOZYQXDFCSGQHT-QVJALUKGSA-N. The full InChI is InChI=1S/C14H20O4/c1-5-8-15-9-7-10-11(6-2)16-13-12(10)17-14(3,4)18-13/h5-7,11-13H,1-2,8-9H2,3-4H3/b10-7-/t11-,12-,13-/m1/s1.
What are the key properties of (3aR,5R,6Z,6aR)-5-ethenyl-2,2-dimethyl-6-(2-prop-2-enoxyethylidene)-3a,6a-dihydrofuro[2,3-d][1,3]dioxole?
(3aR,5R,6Z,6aR)-5-ethenyl-2,2-dimethyl-6-(2-prop-2-enoxyethylidene)-3a,6a-dihydrofuro[2,3-d][1,3]dioxole has a molecular weight of 252.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6Z,6aR)-5-ethenyl-2,2-dimethyl-6-(2-prop-2-enoxyethylidene)-3a,6a-dihydrofuro[2,3-d][1,3]dioxole is sourced from PubChem (CID 53475479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).