(3aR,5S,6E,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-propylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole

C15H24O5 — CID 170314528

IUPAC(3aR,5S,6E,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-propylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole
SMILESCC/C=C1/[C@H]2OC(C)(C)O[C@H]2O[C@@H]1C1COC(C)(C)O1
InChIInChI=1S/C15H24O5/c1-6-7-9-11(10-8-16-14(2,3)18-10)17-13-12(9)19-15(4,5)20-13/h7,10-13H,6,8H2,1-5H3/b9-7+/t10?,11-,12+,13+/m0/s1
InChIKeyNYFZCLPAAIVLIK-QZIRDSLASA-N
MW284.35 g/mol
LogP2.35
Rot. Bonds2

About (3aR,5S,6E,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-propylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole

(3aR,5S,6E,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-propylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole (PubChem CID 170314528) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is (3aR,5S,6E,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-propylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole.

Molecular Properties

Compound Name(3aR,5S,6E,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-propylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole
PubChem CID170314528
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name(3aR,5S,6E,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-propylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole
SMILESCC/C=C1/[C@H]2OC(C)(C)O[C@H]2O[C@@H]1C1COC(C)(C)O1
InChIInChI=1S/C15H24O5/c1-6-7-9-11(10-8-16-14(2,3)18-10)17-13-12(9)19-15(4,5)20-13/h7,10-13H,6,8H2,1-5H3/b9-7+/t10?,11-,12+,13+/m0/s1
InChIKeyNYFZCLPAAIVLIK-QZIRDSLASA-N
XLogP2.35
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3aR,5S,6E,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-propylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,5S,6E,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-propylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole?
The IUPAC name of (3aR,5S,6E,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-propylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole (CID 170314528) is (3aR,5S,6E,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-propylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole.
What is the SMILES notation for (3aR,5S,6E,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-propylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole?
The canonical SMILES for (3aR,5S,6E,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-propylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole is CC/C=C1/[C@H]2OC(C)(C)O[C@H]2O[C@@H]1C1COC(C)(C)O1.
What is the InChIKey of (3aR,5S,6E,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-propylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole?
The InChIKey is NYFZCLPAAIVLIK-QZIRDSLASA-N. The full InChI is InChI=1S/C15H24O5/c1-6-7-9-11(10-8-16-14(2,3)18-10)17-13-12(9)19-15(4,5)20-13/h7,10-13H,6,8H2,1-5H3/b9-7+/t10?,11-,12+,13+/m0/s1.
What are the key properties of (3aR,5S,6E,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-propylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole?
(3aR,5S,6E,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-propylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole has a molecular weight of 284.35 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5S,6E,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-propylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole is sourced from PubChem (CID 170314528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).