(3aS,4R,6S,6aR)-6-but-3-enyl-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole

C16H26O5 — CID 10780421

IUPAC(3aS,4R,6S,6aR)-6-but-3-enyl-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
SMILESC=CCC[C@@H]1O[C@H]([C@H]2COC(C)(C)O2)[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C16H26O5/c1-6-7-8-10-13-14(21-16(4,5)20-13)12(18-10)11-9-17-15(2,3)19-11/h6,10-14H,1,7-9H2,2-5H3/t10-,11+,12+,13+,14-/m0/s1
InChIKeyUJYZGFVSWOKMHC-MRTXSQPYSA-N
MW298.38 g/mol
LogP2.39
Rot. Bonds4

About (3aS,4R,6S,6aR)-6-but-3-enyl-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole

(3aS,4R,6S,6aR)-6-but-3-enyl-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole (PubChem CID 10780421) has the molecular formula C16H26O5 and a molecular weight of 298.38 g/mol. Its IUPAC name is (3aS,4R,6S,6aR)-6-but-3-enyl-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole.

Molecular Properties

Compound Name(3aS,4R,6S,6aR)-6-but-3-enyl-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
PubChem CID10780421
Molecular FormulaC16H26O5
Molecular Weight298.38 g/mol
Exact Mass298.18
IUPAC Name(3aS,4R,6S,6aR)-6-but-3-enyl-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
SMILESC=CCC[C@@H]1O[C@H]([C@H]2COC(C)(C)O2)[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C16H26O5/c1-6-7-8-10-13-14(21-16(4,5)20-13)12(18-10)11-9-17-15(2,3)19-11/h6,10-14H,1,7-9H2,2-5H3/t10-,11+,12+,13+,14-/m0/s1
InChIKeyUJYZGFVSWOKMHC-MRTXSQPYSA-N
XLogP2.39
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3aS,4R,6S,6aR)-6-but-3-enyl-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-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

[(3aR,4R,6S,6aS)-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methyl acetate
CID 56964933
(4S,5S)-4-but-3-enyl-5-[2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2,2-dimethyl-1,3-dioxolane
CID 11988731
[(4R,6S)-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methyl acetate
CID 134831053
(3aS,4R,6S,6aR)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-ethenyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 134852417
CID 134998622
CID 134998622
(3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4-[(Z)-non-4-enoxy]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 166449101
beta-d-Mannofuranose, 2,3:5,6-di-O-ethylboranediyl-1-O-(10-undecen-1-yl)-
CID 573900
(3aS,4R,6R,6aR)-6-but-3-enyl-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 10590194
(2R,3R)-3-[(2R,4S,5S)-4-methoxy-5-prop-2-enyloxolan-2-yl]-2-methyl-1,4-dioxaspiro[4.5]decane
CID 89575765
(1R)-1-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)dodec-11-en-1-ol
CID 118375058
(1S)-1-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)dodec-11-en-1-ol
CID 118375060
4-Methoxy-2,2-dimethyl-6-pent-4-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 123243953

Frequently Asked Questions

What is the IUPAC name of (3aS,4R,6S,6aR)-6-but-3-enyl-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The IUPAC name of (3aS,4R,6S,6aR)-6-but-3-enyl-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole (CID 10780421) is (3aS,4R,6S,6aR)-6-but-3-enyl-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole.
What is the SMILES notation for (3aS,4R,6S,6aR)-6-but-3-enyl-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The canonical SMILES for (3aS,4R,6S,6aR)-6-but-3-enyl-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole is C=CCC[C@@H]1O[C@H]([C@H]2COC(C)(C)O2)[C@@H]2OC(C)(C)O[C@@H]21.
What is the InChIKey of (3aS,4R,6S,6aR)-6-but-3-enyl-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The InChIKey is UJYZGFVSWOKMHC-MRTXSQPYSA-N. The full InChI is InChI=1S/C16H26O5/c1-6-7-8-10-13-14(21-16(4,5)20-13)12(18-10)11-9-17-15(2,3)19-11/h6,10-14H,1,7-9H2,2-5H3/t10-,11+,12+,13+,14-/m0/s1.
What are the key properties of (3aS,4R,6S,6aR)-6-but-3-enyl-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
(3aS,4R,6S,6aR)-6-but-3-enyl-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole has a molecular weight of 298.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,6S,6aR)-6-but-3-enyl-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole is sourced from PubChem (CID 10780421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).