tert-butyl N-[(2S,3R)-1-cyclohexyl-3-hydroxy-4-trimethylsilylbutan-2-yl]carbamate

C18H37NO3Si — CID 18659855

IUPACtert-butyl N-[(2S,3R)-1-cyclohexyl-3-hydroxy-4-trimethylsilylbutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[Si](C)(C)C
InChIInChI=1S/C18H37NO3Si/c1-18(2,3)22-17(21)19-15(16(20)13-23(4,5)6)12-14-10-8-7-9-11-14/h14-16,20H,7-13H2,1-6H3,(H,19,21)/t15-,16-/m0/s1
InChIKeyBYXXPYBSBNBKEZ-HOTGVXAUSA-N
MW343.58 g/mol
LogP4.55
Rot. Bonds6

About tert-butyl N-[(2S,3R)-1-cyclohexyl-3-hydroxy-4-trimethylsilylbutan-2-yl]carbamate

tert-butyl N-[(2S,3R)-1-cyclohexyl-3-hydroxy-4-trimethylsilylbutan-2-yl]carbamate (PubChem CID 18659855) has the molecular formula C18H37NO3Si and a molecular weight of 343.58 g/mol. Its IUPAC name is tert-butyl N-[(2S,3R)-1-cyclohexyl-3-hydroxy-4-trimethylsilylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3R)-1-cyclohexyl-3-hydroxy-4-trimethylsilylbutan-2-yl]carbamate
PubChem CID18659855
Molecular FormulaC18H37NO3Si
Molecular Weight343.58 g/mol
Exact Mass343.25
IUPAC Nametert-butyl N-[(2S,3R)-1-cyclohexyl-3-hydroxy-4-trimethylsilylbutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[Si](C)(C)C
InChIInChI=1S/C18H37NO3Si/c1-18(2,3)22-17(21)19-15(16(20)13-23(4,5)6)12-14-10-8-7-9-11-14/h14-16,20H,7-13H2,1-6H3,(H,19,21)/t15-,16-/m0/s1
InChIKeyBYXXPYBSBNBKEZ-HOTGVXAUSA-N
XLogP4.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.58
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3R)-1-cyclohexyl-3-hydroxy-4-trimethylsilylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3R)-1-cyclohexyl-3-hydroxy-4-trimethylsilylbutan-2-yl]carbamate (CID 18659855) is tert-butyl N-[(2S,3R)-1-cyclohexyl-3-hydroxy-4-trimethylsilylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3R)-1-cyclohexyl-3-hydroxy-4-trimethylsilylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3R)-1-cyclohexyl-3-hydroxy-4-trimethylsilylbutan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[Si](C)(C)C.
What is the InChIKey of tert-butyl N-[(2S,3R)-1-cyclohexyl-3-hydroxy-4-trimethylsilylbutan-2-yl]carbamate?
The InChIKey is BYXXPYBSBNBKEZ-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H37NO3Si/c1-18(2,3)22-17(21)19-15(16(20)13-23(4,5)6)12-14-10-8-7-9-11-14/h14-16,20H,7-13H2,1-6H3,(H,19,21)/t15-,16-/m0/s1.
What are the key properties of tert-butyl N-[(2S,3R)-1-cyclohexyl-3-hydroxy-4-trimethylsilylbutan-2-yl]carbamate?
tert-butyl N-[(2S,3R)-1-cyclohexyl-3-hydroxy-4-trimethylsilylbutan-2-yl]carbamate has a molecular weight of 343.58 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3R)-1-cyclohexyl-3-hydroxy-4-trimethylsilylbutan-2-yl]carbamate is sourced from PubChem (CID 18659855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).