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

C18H34O4Si — CID 135024857

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol
SMILESC=CCC(O)(CO[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@H]1C=C
InChIInChI=1S/C18H34O4Si/c1-10-12-18(19,13-20-23(8,9)16(3,4)5)15-14(11-2)21-17(6,7)22-15/h10-11,14-15,19H,1-2,12-13H2,3-9H3/t14-,15-,18?/m0/s1
InChIKeyFBMYGGHWKSHCJC-INHRHCAVSA-N
MW342.55 g/mol
LogP4.02
Rot. Bonds7

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

1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol (PubChem CID 135024857) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol
PubChem CID135024857
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol
SMILESC=CCC(O)(CO[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@H]1C=C
InChIInChI=1S/C18H34O4Si/c1-10-12-18(19,13-20-23(8,9)16(3,4)5)15-14(11-2)21-17(6,7)22-15/h10-11,14-15,19H,1-2,12-13H2,3-9H3/t14-,15-,18?/m0/s1
InChIKeyFBMYGGHWKSHCJC-INHRHCAVSA-N
XLogP4.02
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.02
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 1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol?
The IUPAC name of 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) is 1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol is C=CCC(O)(CO[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@H]1C=C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol?
The InChIKey is FBMYGGHWKSHCJC-INHRHCAVSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-10-12-18(19,13-20-23(8,9)16(3,4)5)15-14(11-2)21-17(6,7)22-15/h10-11,14-15,19H,1-2,12-13H2,3-9H3/t14-,15-,18?/m0/s1.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol?
1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol has a molecular weight of 342.55 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol is sourced from PubChem (CID 135024857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).