(1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol

C24H46O2Si — CID 14447627

About (1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol

(1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol (PubChem CID 14447627) has the molecular formula C24H46O2Si and a molecular weight of 394.72 g/mol. Its IUPAC name is (1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol.

Molecular Properties

• Compound Name: (1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol
• PubChem CID: 14447627
• Molecular Formula: C24H46O2Si
• Molecular Weight: 394.72 g/mol
• Exact Mass: 394.33
• IUPAC Name: (1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol
• SMILES: CC/C=C\CC[C@H](C)[C@H](O)/C(=C/C1CCCCC1)CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C24H46O2Si/c1-8-9-10-12-15-20(2)23(25)22(18-21-16-13-11-14-17-21)19-26-27(6,7)24(3,4)5/h9-10,18,20-21,23,25H,8,11-17,19H2,1-7H3/b10-9-,22-18+/t20-,23-/m0/s1
• InChIKey: AUBZEJFVZHXQOW-REGWSFLDSA-N
• XLogP: 7.26
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	394.72
LogP ≤ 5	7.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol?

The IUPAC name of (1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol (CID 14447627) is (1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol.

What is the SMILES notation for (1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol?

The canonical SMILES for (1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol is CC/C=C\CC[C@H](C)[C@H](O)/C(=C/C1CCCCC1)CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of (1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol?

The InChIKey is AUBZEJFVZHXQOW-REGWSFLDSA-N. The full InChI is InChI=1S/C24H46O2Si/c1-8-9-10-12-15-20(2)23(25)22(18-21-16-13-11-14-17-21)19-26-27(6,7)24(3,4)5/h9-10,18,20-21,23,25H,8,11-17,19H2,1-7H3/b10-9-,22-18+/t20-,23-/m0/s1.

What are the key properties of (1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol?

(1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol has a molecular weight of 394.72 g/mol, XLogP of 7.26, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol is sourced from PubChem (CID 14447627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).