(Z)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3-methylpent-1-en-4-yn-3-ol

C21H36O2Si — CID 11078581

About (Z)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3-methylpent-1-en-4-yn-3-ol

(Z)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3-methylpent-1-en-4-yn-3-ol (PubChem CID 11078581) has the molecular formula C21H36O2Si and a molecular weight of 348.60 g/mol. Its IUPAC name is (Z)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3-methylpent-1-en-4-yn-3-ol.

Molecular Properties

• Compound Name: (Z)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3-methylpent-1-en-4-yn-3-ol
• PubChem CID: 11078581
• Molecular Formula: C21H36O2Si
• Molecular Weight: 348.60 g/mol
• Exact Mass: 348.25
• IUPAC Name: (Z)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3-methylpent-1-en-4-yn-3-ol
• SMILES: C#CC(C)(O)/C=C\C1=C(C)C(O[Si](C)(C)C(C)(C)C)CCC1(C)C
• InChI: InChI=1S/C21H36O2Si/c1-11-21(8,22)15-12-17-16(2)18(13-14-20(17,6)7)23-24(9,10)19(3,4)5/h1,12,15,18,22H,13-14H2,2-10H3/b15-12-
• InChIKey: UNJGWWYSDMIVIB-QINSGFPZSA-N
• XLogP: 5.45
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	348.60
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3-methylpent-1-en-4-yn-3-ol?

The IUPAC name of (Z)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3-methylpent-1-en-4-yn-3-ol (CID 11078581) is (Z)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3-methylpent-1-en-4-yn-3-ol.

What is the SMILES notation for (Z)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3-methylpent-1-en-4-yn-3-ol?

The canonical SMILES for (Z)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3-methylpent-1-en-4-yn-3-ol is C#CC(C)(O)/C=C\C1=C(C)C(O[Si](C)(C)C(C)(C)C)CCC1(C)C.

What is the InChIKey of (Z)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3-methylpent-1-en-4-yn-3-ol?

The InChIKey is UNJGWWYSDMIVIB-QINSGFPZSA-N. The full InChI is InChI=1S/C21H36O2Si/c1-11-21(8,22)15-12-17-16(2)18(13-14-20(17,6)7)23-24(9,10)19(3,4)5/h1,12,15,18,22H,13-14H2,2-10H3/b15-12-.

What are the key properties of (Z)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3-methylpent-1-en-4-yn-3-ol?

(Z)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3-methylpent-1-en-4-yn-3-ol has a molecular weight of 348.60 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3-methylpent-1-en-4-yn-3-ol is sourced from PubChem (CID 11078581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).