(Z)-12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine;tert-butyl-[(Z)-12-iodododec-7-enoxy]-diphenylsilane

C59H90INO2Si2 — CID 158148600

About (Z)-12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine;tert-butyl-[(Z)-12-iodododec-7-enoxy]-diphenylsilane

(Z)-12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine;tert-butyl-[(Z)-12-iodododec-7-enoxy]-diphenylsilane (PubChem CID 158148600) has the molecular formula C59H90INO2Si2 and a molecular weight of 1028.45 g/mol. Its IUPAC name is (Z)-12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine;tert-butyl-[(Z)-12-iodododec-7-enoxy]-diphenylsilane.

Molecular Properties

• Compound Name: (Z)-12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine;tert-butyl-[(Z)-12-iodododec-7-enoxy]-diphenylsilane
• PubChem CID: 158148600
• Molecular Formula: C59H90INO2Si2
• Molecular Weight: 1028.45 g/mol
• Exact Mass: 1027.56
• IUPAC Name: (Z)-12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine;tert-butyl-[(Z)-12-iodododec-7-enoxy]-diphenylsilane
• SMILES: CC(C)(C)[Si](OCCCCCC/C=C\CCCCI)(c1ccccc1)c1ccccc1.CC(C)NCCCC/C=C\CCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C31H49NOSi.C28H41IOSi/c1-28(2)32-26-20-12-10-8-6-7-9-11-13-21-27-33-34(31(3,4)5,29-22-16-14-17-23-29)30-24-18-15-19-25-30;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/h6,8,14-19,22-25,28,32H,7,9-13,20-21,26-27H2,1-5H3;4,6,12-17,20-23H,5,7-11,18-19,24-25H2,1-3H3/b8-6-;6-4-
• InChIKey: FUUZAGAUDDRKPI-BUMCBBFJSA-N
• XLogP: 14.91
• TPSA: 30.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 30
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1028.45
LogP ≤ 5	14.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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]oxy-N-propan-2-yldodec-5-en-1-amine;tert-butyl-[(Z)-12-iodododec-7-enoxy]-diphenylsilane?

The IUPAC name of (Z)-12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine;tert-butyl-[(Z)-12-iodododec-7-enoxy]-diphenylsilane (CID 158148600) is (Z)-12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine;tert-butyl-[(Z)-12-iodododec-7-enoxy]-diphenylsilane.

What is the SMILES notation for (Z)-12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine;tert-butyl-[(Z)-12-iodododec-7-enoxy]-diphenylsilane?

The canonical SMILES for (Z)-12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine;tert-butyl-[(Z)-12-iodododec-7-enoxy]-diphenylsilane is CC(C)(C)[Si](OCCCCCC/C=C\CCCCI)(c1ccccc1)c1ccccc1.CC(C)NCCCC/C=C\CCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of (Z)-12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine;tert-butyl-[(Z)-12-iodododec-7-enoxy]-diphenylsilane?

The InChIKey is FUUZAGAUDDRKPI-BUMCBBFJSA-N. The full InChI is InChI=1S/C31H49NOSi.C28H41IOSi/c1-28(2)32-26-20-12-10-8-6-7-9-11-13-21-27-33-34(31(3,4)5,29-22-16-14-17-23-29)30-24-18-15-19-25-30;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/h6,8,14-19,22-25,28,32H,7,9-13,20-21,26-27H2,1-5H3;4,6,12-17,20-23H,5,7-11,18-19,24-25H2,1-3H3/b8-6-;6-4-.

What are the key properties of (Z)-12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine;tert-butyl-[(Z)-12-iodododec-7-enoxy]-diphenylsilane?

(Z)-12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine;tert-butyl-[(Z)-12-iodododec-7-enoxy]-diphenylsilane has a molecular weight of 1028.45 g/mol, XLogP of 14.91, 30 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine;tert-butyl-[(Z)-12-iodododec-7-enoxy]-diphenylsilane is sourced from PubChem (CID 158148600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).