(5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]hex-2-yn-1-ol

C20H36O4Si — CID 24770451

IUPAC(5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]hex-2-yn-1-ol
SMILESC=CC[C@@H]1OC(C)(C)O[C@@H]1C(O)C#CC[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O4Si/c1-10-12-17-18(23-20(6,7)22-17)16(21)14-11-13-15(2)24-25(8,9)19(3,4)5/h10,15-18,21H,1,12-13H2,2-9H3/t15-,16?,17-,18+/m0/s1
InChIKeyUOHHEVDPEHZARV-OOKSDGMUSA-N
MW368.59 g/mol
LogP4.25
Rot. Bonds6

About (5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]hex-2-yn-1-ol

(5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]hex-2-yn-1-ol (PubChem CID 24770451) has the molecular formula C20H36O4Si and a molecular weight of 368.59 g/mol. Its IUPAC name is (5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]hex-2-yn-1-ol.

Molecular Properties

Compound Name(5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]hex-2-yn-1-ol
PubChem CID24770451
Molecular FormulaC20H36O4Si
Molecular Weight368.59 g/mol
Exact Mass368.24
IUPAC Name(5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]hex-2-yn-1-ol
SMILESC=CC[C@@H]1OC(C)(C)O[C@@H]1C(O)C#CC[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O4Si/c1-10-12-17-18(23-20(6,7)22-17)16(21)14-11-13-15(2)24-25(8,9)19(3,4)5/h10,15-18,21H,1,12-13H2,2-9H3/t15-,16?,17-,18+/m0/s1
InChIKeyUOHHEVDPEHZARV-OOKSDGMUSA-N
XLogP4.25
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.59
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(4S,5S)-5-[(Z,5S)-5-[tert-butyl(dimethyl)silyl]oxytetradec-6-en-1,3-diynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 24777981
tert-butyl-[(2R)-6-[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-6-(methoxymethoxy)hex-4-yn-2-yl]oxy-dimethylsilane
CID 25018438
1-[(4S,5S)-5-[(4S)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 134841869
1-[(4S,5R)-5-[(4S)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 134841998
[(4S)-5-[(Z,5S)-5-[tert-butyl(dimethyl)silyl]oxytetradec-6-en-1,3-diynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 134974568
2-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 138968266
2-(tert-Butyl-dimethyl-silanyloxy)-7-methoxymethoxy-undec-4-yn-6-ol
CID 145927272
(1R)-1-[(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]but-3-en-1-ol
CID 11047426
(1S)-1-[(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]but-3-en-1-ol
CID 101153651
(4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-1-trimethylsilyloct-7-en-1-yn-4-ol
CID 12019919
(4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]oct-7-en-1-yn-4-ol
CID 12019920
(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

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]hex-2-yn-1-ol?
The IUPAC name of (5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]hex-2-yn-1-ol (CID 24770451) is (5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]hex-2-yn-1-ol.
What is the SMILES notation for (5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]hex-2-yn-1-ol?
The canonical SMILES for (5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]hex-2-yn-1-ol is C=CC[C@@H]1OC(C)(C)O[C@@H]1C(O)C#CC[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]hex-2-yn-1-ol?
The InChIKey is UOHHEVDPEHZARV-OOKSDGMUSA-N. The full InChI is InChI=1S/C20H36O4Si/c1-10-12-17-18(23-20(6,7)22-17)16(21)14-11-13-15(2)24-25(8,9)19(3,4)5/h10,15-18,21H,1,12-13H2,2-9H3/t15-,16?,17-,18+/m0/s1.
What are the key properties of (5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]hex-2-yn-1-ol?
(5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]hex-2-yn-1-ol has a molecular weight of 368.59 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]hex-2-yn-1-ol is sourced from PubChem (CID 24770451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).