(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-en-1-amine;N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-2-oxoheptanamide

C63H96N2O4Si2 — CID 158817504

About (Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-en-1-amine;N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-2-oxoheptanamide

(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-en-1-amine;N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-2-oxoheptanamide (PubChem CID 158817504) has the molecular formula C63H96N2O4Si2 and a molecular weight of 1001.64 g/mol. Its IUPAC name is (Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-en-1-amine;N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-2-oxoheptanamide.

Molecular Properties

• Compound Name: (Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-en-1-amine;N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-2-oxoheptanamide
• PubChem CID: 158817504
• Molecular Formula: C63H96N2O4Si2
• Molecular Weight: 1001.64 g/mol
• Exact Mass: 1000.69
• IUPAC Name: (Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-en-1-amine;N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-2-oxoheptanamide
• SMILES: CC(C)(C)[Si](OCCCCCC/C=C\CCCCN)(c1ccccc1)c1ccccc1.CCCCCC(=O)C(=O)NCCCC/C=C\CCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C35H53NO3Si.C28H43NOSi/c1-5-6-17-28-33(37)34(38)36-29-22-13-11-9-7-8-10-12-14-23-30-39-40(35(2,3)4,31-24-18-15-19-25-31)32-26-20-16-21-27-32;1-28(2,3)31(26-20-14-12-15-21-26,27-22-16-13-17-23-27)30-25-19-11-9-7-5-4-6-8-10-18-24-29/h7,9,15-16,18-21,24-27H,5-6,8,10-14,17,22-23,28-30H2,1-4H3,(H,36,38);4,6,12-17,20-23H,5,7-11,18-19,24-25,29H2,1-3H3/b9-7-;6-4-
• InChIKey: IVLIURHQILIODB-HQDLSDIASA-N
• XLogP: 13.70
• TPSA: 90.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 34
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1001.64
LogP ≤ 5	13.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-en-1-amine;N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-2-oxoheptanamide?

The IUPAC name of (Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-en-1-amine;N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-2-oxoheptanamide (CID 158817504) is (Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-en-1-amine;N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-2-oxoheptanamide.

What is the SMILES notation for (Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-en-1-amine;N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-2-oxoheptanamide?

The canonical SMILES for (Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-en-1-amine;N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-2-oxoheptanamide is CC(C)(C)[Si](OCCCCCC/C=C\CCCCN)(c1ccccc1)c1ccccc1.CCCCCC(=O)C(=O)NCCCC/C=C\CCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of (Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-en-1-amine;N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-2-oxoheptanamide?

The InChIKey is IVLIURHQILIODB-HQDLSDIASA-N. The full InChI is InChI=1S/C35H53NO3Si.C28H43NOSi/c1-5-6-17-28-33(37)34(38)36-29-22-13-11-9-7-8-10-12-14-23-30-39-40(35(2,3)4,31-24-18-15-19-25-31)32-26-20-16-21-27-32;1-28(2,3)31(26-20-14-12-15-21-26,27-22-16-13-17-23-27)30-25-19-11-9-7-5-4-6-8-10-18-24-29/h7,9,15-16,18-21,24-27H,5-6,8,10-14,17,22-23,28-30H2,1-4H3,(H,36,38);4,6,12-17,20-23H,5,7-11,18-19,24-25,29H2,1-3H3/b9-7-;6-4-.

What are the key properties of (Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-en-1-amine;N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-2-oxoheptanamide?

(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-en-1-amine;N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-2-oxoheptanamide has a molecular weight of 1001.64 g/mol, XLogP of 13.70, 34 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-en-1-amine;N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-2-oxoheptanamide is sourced from PubChem (CID 158817504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).