(Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]non-3-en-2-one

C20H38O4Si — CID 11760441

IUPAC(Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]non-3-en-2-one
SMILESC[C@@H](CCC/C=C\C(=O)C[C@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O4Si/c1-16(24-25(7,8)19(2,3)4)12-10-9-11-13-17(21)14-18-15-22-20(5,6)23-18/h11,13,16,18H,9-10,12,14-15H2,1-8H3/b13-11-/t16-,18-/m0/s1
InChIKeyRHVFHFRPERQXCF-JJGVHMAHSA-N
MW370.61 g/mol
LogP5.23
Rot. Bonds9

About (Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]non-3-en-2-one

(Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]non-3-en-2-one (PubChem CID 11760441) has the molecular formula C20H38O4Si and a molecular weight of 370.61 g/mol. Its IUPAC name is (Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]non-3-en-2-one.

Molecular Properties

Compound Name(Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]non-3-en-2-one
PubChem CID11760441
Molecular FormulaC20H38O4Si
Molecular Weight370.61 g/mol
Exact Mass370.25
IUPAC Name(Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]non-3-en-2-one
SMILESC[C@@H](CCC/C=C\C(=O)C[C@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O4Si/c1-16(24-25(7,8)19(2,3)4)12-10-9-11-13-17(21)14-18-15-22-20(5,6)23-18/h11,13,16,18H,9-10,12,14-15H2,1-8H3/b13-11-/t16-,18-/m0/s1
InChIKeyRHVFHFRPERQXCF-JJGVHMAHSA-N
XLogP5.23
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.61
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]non-3-en-2-one?
The IUPAC name of (Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]non-3-en-2-one (CID 11760441) is (Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]non-3-en-2-one.
What is the SMILES notation for (Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]non-3-en-2-one?
The canonical SMILES for (Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]non-3-en-2-one is C[C@@H](CCC/C=C\C(=O)C[C@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]non-3-en-2-one?
The InChIKey is RHVFHFRPERQXCF-JJGVHMAHSA-N. The full InChI is InChI=1S/C20H38O4Si/c1-16(24-25(7,8)19(2,3)4)12-10-9-11-13-17(21)14-18-15-22-20(5,6)23-18/h11,13,16,18H,9-10,12,14-15H2,1-8H3/b13-11-/t16-,18-/m0/s1.
What are the key properties of (Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]non-3-en-2-one?
(Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]non-3-en-2-one has a molecular weight of 370.61 g/mol, XLogP of 5.23, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]non-3-en-2-one is sourced from PubChem (CID 11760441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).