6-[tert-butyl(dimethyl)silyl]oxyhexyl-iodo-triphenyl-λ5-phosphane

C30H42IOPSi — CID 140621382

IUPAC6-[tert-butyl(dimethyl)silyl]oxyhexyl-iodo-triphenyl-λ5-phosphane
SMILESCC(C)(C)[Si](C)(C)OCCCCCCP(I)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H42IOPSi/c1-30(2,3)34(4,5)32-25-17-6-7-18-26-33(31,27-19-11-8-12-20-27,28-21-13-9-14-22-28)29-23-15-10-16-24-29/h8-16,19-24H,6-7,17-18,25-26H2,1-5H3
InChIKeyKSGVFYJYZWGQHW-UHFFFAOYSA-N
MW604.63 g/mol
LogP8.45
Rot. Bonds11

About 6-[tert-butyl(dimethyl)silyl]oxyhexyl-iodo-triphenyl-λ5-phosphane

6-[tert-butyl(dimethyl)silyl]oxyhexyl-iodo-triphenyl-λ5-phosphane (PubChem CID 140621382) has the molecular formula C30H42IOPSi and a molecular weight of 604.63 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxyhexyl-iodo-triphenyl-λ5-phosphane.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxyhexyl-iodo-triphenyl-λ5-phosphane
PubChem CID140621382
Molecular FormulaC30H42IOPSi
Molecular Weight604.63 g/mol
Exact Mass604.18
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxyhexyl-iodo-triphenyl-λ5-phosphane
SMILESCC(C)(C)[Si](C)(C)OCCCCCCP(I)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H42IOPSi/c1-30(2,3)34(4,5)32-25-17-6-7-18-26-33(31,27-19-11-8-12-20-27,28-21-13-9-14-22-28)29-23-15-10-16-24-29/h8-16,19-24H,6-7,17-18,25-26H2,1-5H3
InChIKeyKSGVFYJYZWGQHW-UHFFFAOYSA-N
XLogP8.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.63
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxyhexyl-iodo-triphenyl-λ5-phosphane?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxyhexyl-iodo-triphenyl-λ5-phosphane (CID 140621382) is 6-[tert-butyl(dimethyl)silyl]oxyhexyl-iodo-triphenyl-λ5-phosphane.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxyhexyl-iodo-triphenyl-λ5-phosphane?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxyhexyl-iodo-triphenyl-λ5-phosphane is CC(C)(C)[Si](C)(C)OCCCCCCP(I)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxyhexyl-iodo-triphenyl-λ5-phosphane?
The InChIKey is KSGVFYJYZWGQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42IOPSi/c1-30(2,3)34(4,5)32-25-17-6-7-18-26-33(31,27-19-11-8-12-20-27,28-21-13-9-14-22-28)29-23-15-10-16-24-29/h8-16,19-24H,6-7,17-18,25-26H2,1-5H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxyhexyl-iodo-triphenyl-λ5-phosphane?
6-[tert-butyl(dimethyl)silyl]oxyhexyl-iodo-triphenyl-λ5-phosphane has a molecular weight of 604.63 g/mol, XLogP of 8.45, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxyhexyl-iodo-triphenyl-λ5-phosphane is sourced from PubChem (CID 140621382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).