bis(carbon dioxide);(5S)-2,2-dimethyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;(2S,3R,5S)-2-prop-2-enyl-5-propyloxolan-3-ol;trimethyl(prop-2-enyl)silane

C28H50O9Si — CID 159168885

IUPACbis(carbon dioxide);(5S)-2,2-dimethyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;(2S,3R,5S)-2-prop-2-enyl-5-propyloxolan-3-ol;trimethyl(prop-2-enyl)silane
SMILESC=CC[C@@H]1O[C@@H](CCC)C[C@H]1O.C=CC[Si](C)(C)C.CCC[C@H]1CC2OC(C)(C)OC2O1.O=C=O.O=C=O
InChIInChI=1S/C10H18O3.C10H18O2.C6H14Si.2CO2/c1-4-5-7-6-8-9(11-7)13-10(2,3)12-8;1-3-5-8-7-9(11)10(12-8)6-4-2;1-5-6-7(2,3)4;2*2-1-3/h7-9H,4-6H2,1-3H3;4,8-11H,2-3,5-7H2,1H3;5H,1,6H2,2-4H3;;/t7-,8?,9?;8-,9+,10-;;;/m00.../s1
InChIKeyKLKVJRARKXZQBK-LQEYRJBWSA-N
MW558.79 g/mol
LogP5.28
Rot. Bonds8

About bis(carbon dioxide);(5S)-2,2-dimethyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;(2S,3R,5S)-2-prop-2-enyl-5-propyloxolan-3-ol;trimethyl(prop-2-enyl)silane

bis(carbon dioxide);(5S)-2,2-dimethyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;(2S,3R,5S)-2-prop-2-enyl-5-propyloxolan-3-ol;trimethyl(prop-2-enyl)silane (PubChem CID 159168885) has the molecular formula C28H50O9Si and a molecular weight of 558.79 g/mol. Its IUPAC name is bis(carbon dioxide);(5S)-2,2-dimethyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;(2S,3R,5S)-2-prop-2-enyl-5-propyloxolan-3-ol;trimethyl(prop-2-enyl)silane.

Molecular Properties

Compound Namebis(carbon dioxide);(5S)-2,2-dimethyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;(2S,3R,5S)-2-prop-2-enyl-5-propyloxolan-3-ol;trimethyl(prop-2-enyl)silane
PubChem CID159168885
Molecular FormulaC28H50O9Si
Molecular Weight558.79 g/mol
Exact Mass558.32
IUPAC Namebis(carbon dioxide);(5S)-2,2-dimethyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;(2S,3R,5S)-2-prop-2-enyl-5-propyloxolan-3-ol;trimethyl(prop-2-enyl)silane
SMILESC=CC[C@@H]1O[C@@H](CCC)C[C@H]1O.C=CC[Si](C)(C)C.CCC[C@H]1CC2OC(C)(C)OC2O1.O=C=O.O=C=O
InChIInChI=1S/C10H18O3.C10H18O2.C6H14Si.2CO2/c1-4-5-7-6-8-9(11-7)13-10(2,3)12-8;1-3-5-8-7-9(11)10(12-8)6-4-2;1-5-6-7(2,3)4;2*2-1-3/h7-9H,4-6H2,1-3H3;4,8-11H,2-3,5-7H2,1H3;5H,1,6H2,2-4H3;;/t7-,8?,9?;8-,9+,10-;;;/m00.../s1
InChIKeyKLKVJRARKXZQBK-LQEYRJBWSA-N
XLogP5.28
TPSA125.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.79
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze bis(carbon dioxide);(5S)-2,2-dimethyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;(2S,3R,5S)-2-prop-2-enyl-5-propyloxolan-3-ol;trimethyl(prop-2-enyl)silane with MolForge

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Related Compounds

(3aR,5S,6aR)-5-butyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;3-[(2S,3R,5S)-5-butyl-3-hydroxyoxolan-2-yl]prop-1-enyl acetate;1-trimethylsilylprop-2-enyl acetate
CID 158954035
3-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propanal
CID 130313443
(2R,3R,5S,6R)-2-[2-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl]-6-methoxyoxane-3,5-diol
CID 11758949
3-[(3aR,4R,6R,7aS)-2,2-dimethyl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]propan-1-ol
CID 11107962
ethyl 3-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propanoate
CID 25141891
methyl 4-(4-hydroxy-5-prop-2-enyloxolan-2-yl)butanoate
CID 123664264
(3aR,6S,6aR)-2,2-dimethyl-5-prop-2-enyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 135242553
[(3aS,5S,6aS)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl acetate
CID 90339201
2-(hydroxymethyl)-5-prop-2-enyloxolan-3-ol
CID 130147586
(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxamide
CID 130765029
2-[(4R,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]acetonitrile
CID 10867228
(3aR,5R,6S,6aR)-2,2-dimethyl-5-prop-2-enyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;(1R,2S,5R,7R)-9,9-dimethyl-3,6,8,10-tetraoxatricyclo[5.3.0.02,5]decane
CID 159120350

Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);(5S)-2,2-dimethyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;(2S,3R,5S)-2-prop-2-enyl-5-propyloxolan-3-ol;trimethyl(prop-2-enyl)silane?
The IUPAC name of bis(carbon dioxide);(5S)-2,2-dimethyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;(2S,3R,5S)-2-prop-2-enyl-5-propyloxolan-3-ol;trimethyl(prop-2-enyl)silane (CID 159168885) is bis(carbon dioxide);(5S)-2,2-dimethyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;(2S,3R,5S)-2-prop-2-enyl-5-propyloxolan-3-ol;trimethyl(prop-2-enyl)silane.
What is the SMILES notation for bis(carbon dioxide);(5S)-2,2-dimethyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;(2S,3R,5S)-2-prop-2-enyl-5-propyloxolan-3-ol;trimethyl(prop-2-enyl)silane?
The canonical SMILES for bis(carbon dioxide);(5S)-2,2-dimethyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;(2S,3R,5S)-2-prop-2-enyl-5-propyloxolan-3-ol;trimethyl(prop-2-enyl)silane is C=CC[C@@H]1O[C@@H](CCC)C[C@H]1O.C=CC[Si](C)(C)C.CCC[C@H]1CC2OC(C)(C)OC2O1.O=C=O.O=C=O.
What is the InChIKey of bis(carbon dioxide);(5S)-2,2-dimethyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;(2S,3R,5S)-2-prop-2-enyl-5-propyloxolan-3-ol;trimethyl(prop-2-enyl)silane?
The InChIKey is KLKVJRARKXZQBK-LQEYRJBWSA-N. The full InChI is InChI=1S/C10H18O3.C10H18O2.C6H14Si.2CO2/c1-4-5-7-6-8-9(11-7)13-10(2,3)12-8;1-3-5-8-7-9(11)10(12-8)6-4-2;1-5-6-7(2,3)4;2*2-1-3/h7-9H,4-6H2,1-3H3;4,8-11H,2-3,5-7H2,1H3;5H,1,6H2,2-4H3;;/t7-,8?,9?;8-,9+,10-;;;/m00.../s1.
What are the key properties of bis(carbon dioxide);(5S)-2,2-dimethyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;(2S,3R,5S)-2-prop-2-enyl-5-propyloxolan-3-ol;trimethyl(prop-2-enyl)silane?
bis(carbon dioxide);(5S)-2,2-dimethyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;(2S,3R,5S)-2-prop-2-enyl-5-propyloxolan-3-ol;trimethyl(prop-2-enyl)silane has a molecular weight of 558.79 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(carbon dioxide);(5S)-2,2-dimethyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;(2S,3R,5S)-2-prop-2-enyl-5-propyloxolan-3-ol;trimethyl(prop-2-enyl)silane is sourced from PubChem (CID 159168885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).