(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-[[(E)-4-methylpent-2-enoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole

C15H26O5 — CID 58619938

IUPAC(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-[[(E)-4-methylpent-2-enoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
SMILESCO[C@@H]1O[C@H](COC/C=C/C(C)C)[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C15H26O5/c1-10(2)7-6-8-17-9-11-12-13(14(16-5)18-11)20-15(3,4)19-12/h6-7,10-14H,8-9H2,1-5H3/b7-6+/t11-,12-,13-,14-/m1/s1
InChIKeyHFBMPUHJIZYDID-VZUGPRAESA-N
MW286.37 g/mol
LogP2.11
Rot. Bonds6

About (3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-[[(E)-4-methylpent-2-enoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole

(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-[[(E)-4-methylpent-2-enoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole (PubChem CID 58619938) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is (3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-[[(E)-4-methylpent-2-enoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole.

Molecular Properties

Compound Name(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-[[(E)-4-methylpent-2-enoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
PubChem CID58619938
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Name(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-[[(E)-4-methylpent-2-enoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
SMILESCO[C@@H]1O[C@H](COC/C=C/C(C)C)[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C15H26O5/c1-10(2)7-6-8-17-9-11-12-13(14(16-5)18-11)20-15(3,4)19-12/h6-7,10-14H,8-9H2,1-5H3/b7-6+/t11-,12-,13-,14-/m1/s1
InChIKeyHFBMPUHJIZYDID-VZUGPRAESA-N
XLogP2.11
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-[[(E)-4-methylpent-2-enoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-[[(E)-4-methylpent-2-enoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The IUPAC name of (3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-[[(E)-4-methylpent-2-enoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole (CID 58619938) is (3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-[[(E)-4-methylpent-2-enoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole.
What is the SMILES notation for (3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-[[(E)-4-methylpent-2-enoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The canonical SMILES for (3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-[[(E)-4-methylpent-2-enoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole is CO[C@@H]1O[C@H](COC/C=C/C(C)C)[C@H]2OC(C)(C)O[C@@H]12.
What is the InChIKey of (3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-[[(E)-4-methylpent-2-enoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The InChIKey is HFBMPUHJIZYDID-VZUGPRAESA-N. The full InChI is InChI=1S/C15H26O5/c1-10(2)7-6-8-17-9-11-12-13(14(16-5)18-11)20-15(3,4)19-12/h6-7,10-14H,8-9H2,1-5H3/b7-6+/t11-,12-,13-,14-/m1/s1.
What are the key properties of (3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-[[(E)-4-methylpent-2-enoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-[[(E)-4-methylpent-2-enoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole has a molecular weight of 286.37 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-[[(E)-4-methylpent-2-enoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole is sourced from PubChem (CID 58619938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).