(Z,3S,10S)-3-[tert-butyl(dimethyl)silyl]oxy-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-5-en-2-one

C22H42O4Si — CID 11280981

About (Z,3S,10S)-3-[tert-butyl(dimethyl)silyl]oxy-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-5-en-2-one

(Z,3S,10S)-3-[tert-butyl(dimethyl)silyl]oxy-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-5-en-2-one (PubChem CID 11280981) has the molecular formula C22H42O4Si and a molecular weight of 398.66 g/mol. Its IUPAC name is (Z,3S,10S)-3-[tert-butyl(dimethyl)silyl]oxy-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-5-en-2-one.

Molecular Properties

• Compound Name: (Z,3S,10S)-3-[tert-butyl(dimethyl)silyl]oxy-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-5-en-2-one
• PubChem CID: 11280981
• Molecular Formula: C22H42O4Si
• Molecular Weight: 398.66 g/mol
• Exact Mass: 398.29
• IUPAC Name: (Z,3S,10S)-3-[tert-butyl(dimethyl)silyl]oxy-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-5-en-2-one
• SMILES: CC(=O)[C@H](C/C=C\CCC[C@H](C)[C@@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C22H42O4Si/c1-17(20-16-24-22(6,7)25-20)14-12-10-11-13-15-19(18(2)23)26-27(8,9)21(3,4)5/h11,13,17,19-20H,10,12,14-16H2,1-9H3/b13-11-/t17-,19-,20-/m0/s1
• InChIKey: VIPBGZOULFCHRN-HJDWSRRXSA-N
• XLogP: 5.87
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	398.66
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z,3S,10S)-3-[tert-butyl(dimethyl)silyl]oxy-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-5-en-2-one?

The IUPAC name of (Z,3S,10S)-3-[tert-butyl(dimethyl)silyl]oxy-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-5-en-2-one (CID 11280981) is (Z,3S,10S)-3-[tert-butyl(dimethyl)silyl]oxy-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-5-en-2-one.

What is the SMILES notation for (Z,3S,10S)-3-[tert-butyl(dimethyl)silyl]oxy-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-5-en-2-one?

The canonical SMILES for (Z,3S,10S)-3-[tert-butyl(dimethyl)silyl]oxy-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-5-en-2-one is CC(=O)[C@H](C/C=C\CCC[C@H](C)[C@@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (Z,3S,10S)-3-[tert-butyl(dimethyl)silyl]oxy-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-5-en-2-one?

The InChIKey is VIPBGZOULFCHRN-HJDWSRRXSA-N. The full InChI is InChI=1S/C22H42O4Si/c1-17(20-16-24-22(6,7)25-20)14-12-10-11-13-15-19(18(2)23)26-27(8,9)21(3,4)5/h11,13,17,19-20H,10,12,14-16H2,1-9H3/b13-11-/t17-,19-,20-/m0/s1.

What are the key properties of (Z,3S,10S)-3-[tert-butyl(dimethyl)silyl]oxy-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-5-en-2-one?

(Z,3S,10S)-3-[tert-butyl(dimethyl)silyl]oxy-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-5-en-2-one has a molecular weight of 398.66 g/mol, XLogP of 5.87, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (Z,3S,10S)-3-[tert-butyl(dimethyl)silyl]oxy-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-5-en-2-one is sourced from PubChem (CID 11280981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).