(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol

C21H40O6Si — CID 10693246

IUPAC(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol
SMILESC=CC[C@](O)([C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1)[C@H]1COC(C)(C)O1
InChIInChI=1S/C21H40O6Si/c1-11-12-21(22,16-14-24-20(7,8)26-16)17(15-13-23-19(5,6)25-15)27-28(9,10)18(2,3)4/h11,15-17,22H,1,12-14H2,2-10H3/t15-,16-,17-,21-/m1/s1
InChIKeyNEKZMZLVUGDQNB-BZLDKRAPSA-N
MW416.63 g/mol
LogP3.99
Rot. Bonds7

About (1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol

(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol (PubChem CID 10693246) has the molecular formula C21H40O6Si and a molecular weight of 416.63 g/mol. Its IUPAC name is (1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol
PubChem CID10693246
Molecular FormulaC21H40O6Si
Molecular Weight416.63 g/mol
Exact Mass416.26
IUPAC Name(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol
SMILESC=CC[C@](O)([C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1)[C@H]1COC(C)(C)O1
InChIInChI=1S/C21H40O6Si/c1-11-12-21(22,16-14-24-20(7,8)26-16)17(15-13-23-19(5,6)25-15)27-28(9,10)18(2,3)4/h11,15-17,22H,1,12-14H2,2-10H3/t15-,16-,17-,21-/m1/s1
InChIKeyNEKZMZLVUGDQNB-BZLDKRAPSA-N
XLogP3.99
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.63
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-4-methylpentan-1-ol
CID 53248148
1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol
CID 135024857
2-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 138968266
(2R,3S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-3-prop-2-enyloxolan-3-ol
CID 10566309
(2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-3-prop-2-enyloxolan-3-ol
CID 10566310
(3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-5-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]pentane-1,4-diol
CID 11014236
(4S,5S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-ol
CID 102276965
(4R,5S)-1-{4-[2-(tert-Butyldimethylsilyloxy)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-5-yl}-(S)-prop-2-en-1-ol
CID 12116174
1-[2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol
CID 19782545
(2R)-2-[(3aR,5S,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol
CID 22979813
2-[((tert-Butyldimethylsilyl)oxy)methyl]-2-[(2R,3R)-2-hydr oxy-3-[(2-methoxyethoxy)methoxy]pent-4-enyl]-1,3-dioxolane
CID 54157985
(3S,4S)-4-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-ol
CID 59071247

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol?
The IUPAC name of (1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol (CID 10693246) is (1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol.
What is the SMILES notation for (1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol?
The canonical SMILES for (1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol is C=CC[C@](O)([C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1)[C@H]1COC(C)(C)O1.
What is the InChIKey of (1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol?
The InChIKey is NEKZMZLVUGDQNB-BZLDKRAPSA-N. The full InChI is InChI=1S/C21H40O6Si/c1-11-12-21(22,16-14-24-20(7,8)26-16)17(15-13-23-19(5,6)25-15)27-28(9,10)18(2,3)4/h11,15-17,22H,1,12-14H2,2-10H3/t15-,16-,17-,21-/m1/s1.
What are the key properties of (1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol?
(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol has a molecular weight of 416.63 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol is sourced from PubChem (CID 10693246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).