5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-[(E)-prop-1-enoxy]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

C15H24O6 — CID 6392479

IUPAC5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-[(E)-prop-1-enoxy]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESC/C=C/OC1C(C2COC(C)(C)O2)OC2OC(C)(C)OC21
InChIInChI=1S/C15H24O6/c1-6-7-16-11-10(9-8-17-14(2,3)19-9)18-13-12(11)20-15(4,5)21-13/h6-7,9-13H,8H2,1-5H3/b7-6+
InChIKeyRSCYQPRGEVQBEZ-VOTSOKGWSA-N
MW300.35 g/mol
LogP1.93
Rot. Bonds3

About 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-[(E)-prop-1-enoxy]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-[(E)-prop-1-enoxy]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (PubChem CID 6392479) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-[(E)-prop-1-enoxy]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.

Molecular Properties

Compound Name5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-[(E)-prop-1-enoxy]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
PubChem CID6392479
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-[(E)-prop-1-enoxy]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESC/C=C/OC1C(C2COC(C)(C)O2)OC2OC(C)(C)OC21
InChIInChI=1S/C15H24O6/c1-6-7-16-11-10(9-8-17-14(2,3)19-9)18-13-12(11)20-15(4,5)21-13/h6-7,9-13H,8H2,1-5H3/b7-6+
InChIKeyRSCYQPRGEVQBEZ-VOTSOKGWSA-N
XLogP1.93
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-[(E)-prop-1-enoxy]-3a,5,6,6a-tetrahydrofuro[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

Related Compounds

Glucofuranose, 1:2,5:6-di-O-isopropylidene-3-O-methyl-, alpha-D-
CID 206200
alpha-D-Glucofuranose, 1,2:5,6-bis-O-(1-methylethylidene)-3-O-2-propenyl-
CID 209755
Glucofuranose, 1:2,5:6-di-O-isopropylidene-3-O-ethyl-, alpha-D-
CID 211120
Glucofuranose, 1:2,5:6-di-O-isopropylidene-3-O-propyl-, alpha-D-
CID 3055064
(3aR,5R,6S,6aR)-5-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-6-methoxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole
CID 7077992
1,2:5,6-Bis-O-(1-methylethylidene)-3-O-2-propen-1-yl-alpha-D-glucofuranose
CID 10979497
(3AR,5R,6AR)-5-((R)-2,2-Dimethyl-1,3-dioxolan-4-YL)-2,2-dimethyltetrahydrofuro[2,3-D][1,3]dioxole
CID 10857713
(3aR,5S,6aR)-5-((R)-2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole
CID 10868519
(3AR,5S,6aR)-5-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole
CID 11218770
3-Deoxy-1,2:5,6-di-O-isopropylidene-alpha-D-glucofuranose
CID 13479274
5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 246399
(3aR,5S)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 68022177

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-[(E)-prop-1-enoxy]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The IUPAC name of 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-[(E)-prop-1-enoxy]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (CID 6392479) is 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-[(E)-prop-1-enoxy]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.
What is the SMILES notation for 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-[(E)-prop-1-enoxy]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The canonical SMILES for 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-[(E)-prop-1-enoxy]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is C/C=C/OC1C(C2COC(C)(C)O2)OC2OC(C)(C)OC21.
What is the InChIKey of 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-[(E)-prop-1-enoxy]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The InChIKey is RSCYQPRGEVQBEZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H24O6/c1-6-7-16-11-10(9-8-17-14(2,3)19-9)18-13-12(11)20-15(4,5)21-13/h6-7,9-13H,8H2,1-5H3/b7-6+.
What are the key properties of 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-[(E)-prop-1-enoxy]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-[(E)-prop-1-enoxy]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole has a molecular weight of 300.35 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-[(E)-prop-1-enoxy]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is sourced from PubChem (CID 6392479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).