(2S)-5-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-yn-2-ol

C17H32O4Si — CID 134841997

IUPAC(2S)-5-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-yn-2-ol
SMILESC[C@H](O)CC#C[C@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O4Si/c1-13(18)10-9-11-14-15(21-17(5,6)20-14)12-19-22(7,8)16(2,3)4/h13-15,18H,10,12H2,1-8H3/t13-,14+,15-/m0/s1
InChIKeyHCKZATMRNRPFPO-ZNMIVQPWSA-N
MW328.53 g/mol
LogP3.30
Rot. Bonds4

About (2S)-5-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-yn-2-ol

(2S)-5-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-yn-2-ol (PubChem CID 134841997) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is (2S)-5-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-yn-2-ol.

Molecular Properties

Compound Name(2S)-5-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-yn-2-ol
PubChem CID134841997
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Name(2S)-5-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-yn-2-ol
SMILESC[C@H](O)CC#C[C@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O4Si/c1-13(18)10-9-11-14-15(21-17(5,6)20-14)12-19-22(7,8)16(2,3)4/h13-15,18H,10,12H2,1-8H3/t13-,14+,15-/m0/s1
InChIKeyHCKZATMRNRPFPO-ZNMIVQPWSA-N
XLogP3.30
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 10378755
[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 90111018
(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 11011269
[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 90111140
[(4S)-2,2-dimethyl-4-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]methanol
CID 132573154
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybut-2-ynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-yn-1-ol
CID 11317993
(3aR,4R,11R,11aR)-4,11-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethyl-5,6,9,10-tetradehydro-3a,4,7,8,11,11a-hexahydrocyclodeca[d][1,3]dioxole-7,8-diol
CID 11329457
(1R,6S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-7-tri(propan-2-yl)silyloxyhept-2-yn-1-ol
CID 11463690
(3S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-1-yn-3-ol
CID 71523919
1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-1-yn-3-ol
CID 102201983
(2S)-5-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-yn-2-ol
CID 134841833
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-yn-1-ol
CID 134931236

Frequently Asked Questions

What is the IUPAC name of (2S)-5-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-yn-2-ol?
The IUPAC name of (2S)-5-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-yn-2-ol (CID 134841997) is (2S)-5-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-yn-2-ol.
What is the SMILES notation for (2S)-5-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-yn-2-ol?
The canonical SMILES for (2S)-5-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-yn-2-ol is C[C@H](O)CC#C[C@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-5-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-yn-2-ol?
The InChIKey is HCKZATMRNRPFPO-ZNMIVQPWSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-13(18)10-9-11-14-15(21-17(5,6)20-14)12-19-22(7,8)16(2,3)4/h13-15,18H,10,12H2,1-8H3/t13-,14+,15-/m0/s1.
What are the key properties of (2S)-5-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-yn-2-ol?
(2S)-5-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-yn-2-ol has a molecular weight of 328.53 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-yn-2-ol is sourced from PubChem (CID 134841997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).