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

C18H36O4Si — CID 59071276

IUPAC(2S,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-3-ol
SMILESC=CC[C@H](O)[C@H](C)[C@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O4Si/c1-10-11-14(19)13(2)16-15(21-18(6,7)22-16)12-20-23(8,9)17(3,4)5/h10,13-16,19H,1,11-12H2,2-9H3/t13-,14-,15-,16+/m0/s1
InChIKeyYUANTPONNPUGLF-YHUYYLMFSA-N
MW344.57 g/mol
LogP4.10
Rot. Bonds7

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

(2S,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-3-ol (PubChem CID 59071276) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is (2S,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-3-ol
PubChem CID59071276
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Name(2S,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-3-ol
SMILESC=CC[C@H](O)[C@H](C)[C@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O4Si/c1-10-11-14(19)13(2)16-15(21-18(6,7)22-16)12-20-23(8,9)17(3,4)5/h10,13-16,19H,1,11-12H2,2-9H3/t13-,14-,15-,16+/m0/s1
InChIKeyYUANTPONNPUGLF-YHUYYLMFSA-N
XLogP4.10
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.10
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'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-3-ol?
The IUPAC name of (2S,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-3-ol (CID 59071276) is (2S,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-3-ol.
What is the SMILES notation for (2S,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-3-ol?
The canonical SMILES for (2S,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-3-ol is C=CC[C@H](O)[C@H](C)[C@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-3-ol?
The InChIKey is YUANTPONNPUGLF-YHUYYLMFSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-10-11-14(19)13(2)16-15(21-18(6,7)22-16)12-20-23(8,9)17(3,4)5/h10,13-16,19H,1,11-12H2,2-9H3/t13-,14-,15-,16+/m0/s1.
What are the key properties of (2S,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-3-ol?
(2S,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-3-ol has a molecular weight of 344.57 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-3-ol is sourced from PubChem (CID 59071276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).