6-[tert-butyl(diphenyl)silyl]oxyhexan-3-ylcarbamic acid

C23H33NO3Si — CID 68815833

IUPAC6-[tert-butyl(diphenyl)silyl]oxyhexan-3-ylcarbamic acid
SMILESCCC(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)O
InChIInChI=1S/C23H33NO3Si/c1-5-19(24-22(25)26)13-12-18-27-28(23(2,3)4,20-14-8-6-9-15-20)21-16-10-7-11-17-21/h6-11,14-17,19,24H,5,12-13,18H2,1-4H3,(H,25,26)
InChIKeyKCKKHHDEGPPRDU-UHFFFAOYSA-N
MW399.61 g/mol
LogP4.39
Rot. Bonds9

About 6-[tert-butyl(diphenyl)silyl]oxyhexan-3-ylcarbamic acid

6-[tert-butyl(diphenyl)silyl]oxyhexan-3-ylcarbamic acid (PubChem CID 68815833) has the molecular formula C23H33NO3Si and a molecular weight of 399.61 g/mol. Its IUPAC name is 6-[tert-butyl(diphenyl)silyl]oxyhexan-3-ylcarbamic acid.

Molecular Properties

Compound Name6-[tert-butyl(diphenyl)silyl]oxyhexan-3-ylcarbamic acid
PubChem CID68815833
Molecular FormulaC23H33NO3Si
Molecular Weight399.61 g/mol
Exact Mass399.22
IUPAC Name6-[tert-butyl(diphenyl)silyl]oxyhexan-3-ylcarbamic acid
SMILESCCC(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)O
InChIInChI=1S/C23H33NO3Si/c1-5-19(24-22(25)26)13-12-18-27-28(23(2,3)4,20-14-8-6-9-15-20)21-16-10-7-11-17-21/h6-11,14-17,19,24H,5,12-13,18H2,1-4H3,(H,25,26)
InChIKeyKCKKHHDEGPPRDU-UHFFFAOYSA-N
XLogP4.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.61
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(diphenyl)silyl]oxyhexan-3-ylcarbamic acid?
The IUPAC name of 6-[tert-butyl(diphenyl)silyl]oxyhexan-3-ylcarbamic acid (CID 68815833) is 6-[tert-butyl(diphenyl)silyl]oxyhexan-3-ylcarbamic acid.
What is the SMILES notation for 6-[tert-butyl(diphenyl)silyl]oxyhexan-3-ylcarbamic acid?
The canonical SMILES for 6-[tert-butyl(diphenyl)silyl]oxyhexan-3-ylcarbamic acid is CCC(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)O.
What is the InChIKey of 6-[tert-butyl(diphenyl)silyl]oxyhexan-3-ylcarbamic acid?
The InChIKey is KCKKHHDEGPPRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO3Si/c1-5-19(24-22(25)26)13-12-18-27-28(23(2,3)4,20-14-8-6-9-15-20)21-16-10-7-11-17-21/h6-11,14-17,19,24H,5,12-13,18H2,1-4H3,(H,25,26).
What are the key properties of 6-[tert-butyl(diphenyl)silyl]oxyhexan-3-ylcarbamic acid?
6-[tert-butyl(diphenyl)silyl]oxyhexan-3-ylcarbamic acid has a molecular weight of 399.61 g/mol, XLogP of 4.39, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(diphenyl)silyl]oxyhexan-3-ylcarbamic acid is sourced from PubChem (CID 68815833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).