(6aS)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6-bis(prop-2-enyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole

C18H28O5 — CID 134830662

IUPAC(6aS)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6-bis(prop-2-enyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole
SMILESC=CCC1(CC=C)C(C2COC(C)(C)O2)OC2OC(C)(C)O[C@H]21
InChIInChI=1S/C18H28O5/c1-7-9-18(10-8-2)13(12-11-19-16(3,4)21-12)20-15-14(18)22-17(5,6)23-15/h7-8,12-15H,1-2,9-11H2,3-6H3/t12?,13?,14-,15?/m1/s1
InChIKeyBGLWUVJNJAGABO-MIGSVPMKSA-N
MW324.42 g/mol
LogP3.15
Rot. Bonds5

About (6aS)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6-bis(prop-2-enyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole

(6aS)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6-bis(prop-2-enyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole (PubChem CID 134830662) has the molecular formula C18H28O5 and a molecular weight of 324.42 g/mol. Its IUPAC name is (6aS)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6-bis(prop-2-enyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole.

Molecular Properties

Compound Name(6aS)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6-bis(prop-2-enyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole
PubChem CID134830662
Molecular FormulaC18H28O5
Molecular Weight324.42 g/mol
Exact Mass324.19
IUPAC Name(6aS)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6-bis(prop-2-enyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole
SMILESC=CCC1(CC=C)C(C2COC(C)(C)O2)OC2OC(C)(C)O[C@H]21
InChIInChI=1S/C18H28O5/c1-7-9-18(10-8-2)13(12-11-19-16(3,4)21-12)20-15-14(18)22-17(5,6)23-15/h7-8,12-15H,1-2,9-11H2,3-6H3/t12?,13?,14-,15?/m1/s1
InChIKeyBGLWUVJNJAGABO-MIGSVPMKSA-N
XLogP3.15
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (6aS)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6-bis(prop-2-enyl)-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 (6aS)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6-bis(prop-2-enyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole?
The IUPAC name of (6aS)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6-bis(prop-2-enyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole (CID 134830662) is (6aS)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6-bis(prop-2-enyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole.
What is the SMILES notation for (6aS)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6-bis(prop-2-enyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole?
The canonical SMILES for (6aS)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6-bis(prop-2-enyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole is C=CCC1(CC=C)C(C2COC(C)(C)O2)OC2OC(C)(C)O[C@H]21.
What is the InChIKey of (6aS)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6-bis(prop-2-enyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole?
The InChIKey is BGLWUVJNJAGABO-MIGSVPMKSA-N. The full InChI is InChI=1S/C18H28O5/c1-7-9-18(10-8-2)13(12-11-19-16(3,4)21-12)20-15-14(18)22-17(5,6)23-15/h7-8,12-15H,1-2,9-11H2,3-6H3/t12?,13?,14-,15?/m1/s1.
What are the key properties of (6aS)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6-bis(prop-2-enyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole?
(6aS)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6-bis(prop-2-enyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole has a molecular weight of 324.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6-bis(prop-2-enyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole is sourced from PubChem (CID 134830662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).