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

C24H49NO4Si — CID 15281983

IUPACtert-butyl N-[(2S,3R)-1-cyclohexyl-4-hydroxy-3-tri(propan-2-yl)silyloxybutan-2-yl]carbamate
SMILESCC(C)[Si](O[C@@H](CO)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H49NO4Si/c1-17(2)30(18(3)4,19(5)6)29-22(16-26)21(15-20-13-11-10-12-14-20)25-23(27)28-24(7,8)9/h17-22,26H,10-16H2,1-9H3,(H,25,27)/t21-,22-/m0/s1
InChIKeyQRGBLTSDLUDNDP-VXKWHMMOSA-N
MW443.75 g/mol
LogP6.40
Rot. Bonds10

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

tert-butyl N-[(2S,3R)-1-cyclohexyl-4-hydroxy-3-tri(propan-2-yl)silyloxybutan-2-yl]carbamate (PubChem CID 15281983) has the molecular formula C24H49NO4Si and a molecular weight of 443.75 g/mol. Its IUPAC name is tert-butyl N-[(2S,3R)-1-cyclohexyl-4-hydroxy-3-tri(propan-2-yl)silyloxybutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3R)-1-cyclohexyl-4-hydroxy-3-tri(propan-2-yl)silyloxybutan-2-yl]carbamate
PubChem CID15281983
Molecular FormulaC24H49NO4Si
Molecular Weight443.75 g/mol
Exact Mass443.34
IUPAC Nametert-butyl N-[(2S,3R)-1-cyclohexyl-4-hydroxy-3-tri(propan-2-yl)silyloxybutan-2-yl]carbamate
SMILESCC(C)[Si](O[C@@H](CO)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H49NO4Si/c1-17(2)30(18(3)4,19(5)6)29-22(16-26)21(15-20-13-11-10-12-14-20)25-23(27)28-24(7,8)9/h17-22,26H,10-16H2,1-9H3,(H,25,27)/t21-,22-/m0/s1
InChIKeyQRGBLTSDLUDNDP-VXKWHMMOSA-N
XLogP6.40
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.75
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-4-hydroxy-3-tri(propan-2-yl)silyloxybutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3R)-1-cyclohexyl-4-hydroxy-3-tri(propan-2-yl)silyloxybutan-2-yl]carbamate (CID 15281983) is tert-butyl N-[(2S,3R)-1-cyclohexyl-4-hydroxy-3-tri(propan-2-yl)silyloxybutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3R)-1-cyclohexyl-4-hydroxy-3-tri(propan-2-yl)silyloxybutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3R)-1-cyclohexyl-4-hydroxy-3-tri(propan-2-yl)silyloxybutan-2-yl]carbamate is CC(C)[Si](O[C@@H](CO)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[(2S,3R)-1-cyclohexyl-4-hydroxy-3-tri(propan-2-yl)silyloxybutan-2-yl]carbamate?
The InChIKey is QRGBLTSDLUDNDP-VXKWHMMOSA-N. The full InChI is InChI=1S/C24H49NO4Si/c1-17(2)30(18(3)4,19(5)6)29-22(16-26)21(15-20-13-11-10-12-14-20)25-23(27)28-24(7,8)9/h17-22,26H,10-16H2,1-9H3,(H,25,27)/t21-,22-/m0/s1.
What are the key properties of tert-butyl N-[(2S,3R)-1-cyclohexyl-4-hydroxy-3-tri(propan-2-yl)silyloxybutan-2-yl]carbamate?
tert-butyl N-[(2S,3R)-1-cyclohexyl-4-hydroxy-3-tri(propan-2-yl)silyloxybutan-2-yl]carbamate has a molecular weight of 443.75 g/mol, XLogP of 6.40, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3R)-1-cyclohexyl-4-hydroxy-3-tri(propan-2-yl)silyloxybutan-2-yl]carbamate is sourced from PubChem (CID 15281983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).