(E)-5-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol

C18H36O4Si — CID 11078469

IUPAC(E)-5-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol
SMILESCC1(C)O[C@@H](CC/C=C/CO)[C@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C18H36O4Si/c1-17(2,3)23(6,7)20-14-12-16-15(11-9-8-10-13-19)21-18(4,5)22-16/h8,10,15-16,19H,9,11-14H2,1-7H3/b10-8+/t15-,16-/m0/s1
InChIKeyIQBBDAFGAXUWQH-OZVGAOPWSA-N
MW344.57 g/mol
LogP4.25
Rot. Bonds8

About (E)-5-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol

(E)-5-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol (PubChem CID 11078469) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is (E)-5-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol.

Molecular Properties

Compound Name(E)-5-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol
PubChem CID11078469
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Name(E)-5-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol
SMILESCC1(C)O[C@@H](CC/C=C/CO)[C@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C18H36O4Si/c1-17(2,3)23(6,7)20-14-12-16-15(11-9-8-10-13-19)21-18(4,5)22-16/h8,10,15-16,19H,9,11-14H2,1-7H3/b10-8+/t15-,16-/m0/s1
InChIKeyIQBBDAFGAXUWQH-OZVGAOPWSA-N
XLogP4.25
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol?
The IUPAC name of (E)-5-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol (CID 11078469) is (E)-5-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol.
What is the SMILES notation for (E)-5-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol?
The canonical SMILES for (E)-5-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol is CC1(C)O[C@@H](CC/C=C/CO)[C@H](CCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (E)-5-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol?
The InChIKey is IQBBDAFGAXUWQH-OZVGAOPWSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-17(2,3)23(6,7)20-14-12-16-15(11-9-8-10-13-19)21-18(4,5)22-16/h8,10,15-16,19H,9,11-14H2,1-7H3/b10-8+/t15-,16-/m0/s1.
What are the key properties of (E)-5-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol?
(E)-5-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol has a molecular weight of 344.57 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol is sourced from PubChem (CID 11078469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).