(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyl-2,2-dimethyl-6-phenoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole

C20H26O6 — CID 146346665

IUPAC(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyl-2,2-dimethyl-6-phenoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole
SMILESC=C[C@@]1(Oc2ccccc2)[C@@H]([C@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C20H26O6/c1-6-20(23-13-10-8-7-9-11-13)15(14-12-21-18(2,3)24-14)22-17-16(20)25-19(4,5)26-17/h6-11,14-17H,1,12H2,2-5H3/t14-,15-,16+,17-,20-/m1/s1
InChIKeyNIAQIFRWJGEGDV-ISIBIEBGSA-N
MW362.42 g/mol
LogP3.02
Rot. Bonds4

About (3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyl-2,2-dimethyl-6-phenoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole

(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyl-2,2-dimethyl-6-phenoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole (PubChem CID 146346665) has the molecular formula C20H26O6 and a molecular weight of 362.42 g/mol. Its IUPAC name is (3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyl-2,2-dimethyl-6-phenoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole.

Molecular Properties

Compound Name(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyl-2,2-dimethyl-6-phenoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole
PubChem CID146346665
Molecular FormulaC20H26O6
Molecular Weight362.42 g/mol
Exact Mass362.17
IUPAC Name(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyl-2,2-dimethyl-6-phenoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole
SMILESC=C[C@@]1(Oc2ccccc2)[C@@H]([C@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C20H26O6/c1-6-20(23-13-10-8-7-9-11-13)15(14-12-21-18(2,3)24-14)22-17-16(20)25-19(4,5)26-17/h6-11,14-17H,1,12H2,2-5H3/t14-,15-,16+,17-,20-/m1/s1
InChIKeyNIAQIFRWJGEGDV-ISIBIEBGSA-N
XLogP3.02
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyl-2,2-dimethyl-6-phenoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyl-2,2-dimethyl-6-phenoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole?
The IUPAC name of (3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyl-2,2-dimethyl-6-phenoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole (CID 146346665) is (3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyl-2,2-dimethyl-6-phenoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole.
What is the SMILES notation for (3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyl-2,2-dimethyl-6-phenoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole?
The canonical SMILES for (3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyl-2,2-dimethyl-6-phenoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole is C=C[C@@]1(Oc2ccccc2)[C@@H]([C@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21.
What is the InChIKey of (3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyl-2,2-dimethyl-6-phenoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole?
The InChIKey is NIAQIFRWJGEGDV-ISIBIEBGSA-N. The full InChI is InChI=1S/C20H26O6/c1-6-20(23-13-10-8-7-9-11-13)15(14-12-21-18(2,3)24-14)22-17-16(20)25-19(4,5)26-17/h6-11,14-17H,1,12H2,2-5H3/t14-,15-,16+,17-,20-/m1/s1.
What are the key properties of (3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyl-2,2-dimethyl-6-phenoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole?
(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyl-2,2-dimethyl-6-phenoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole has a molecular weight of 362.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyl-2,2-dimethyl-6-phenoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole is sourced from PubChem (CID 146346665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).