propan-2-yl N-[(3R)-5-[tert-butyl(diphenyl)silyl]oxyhept-6-en-3-yl]carbamate

C27H39NO3Si — CID 67134844

IUPACpropan-2-yl N-[(3R)-5-[tert-butyl(diphenyl)silyl]oxyhept-6-en-3-yl]carbamate
SMILESC=CC(C[C@@H](CC)NC(=O)OC(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H39NO3Si/c1-8-22(28-26(29)30-21(3)4)20-23(9-2)31-32(27(5,6)7,24-16-12-10-13-17-24)25-18-14-11-15-19-25/h9-19,21-23H,2,8,20H2,1,3-7H3,(H,28,29)/t22-,23?/m1/s1
InChIKeyNNPDMDCECJKQTA-WTQRLHSKSA-N
MW453.70 g/mol
LogP5.42
Rot. Bonds10

About propan-2-yl N-[(3R)-5-[tert-butyl(diphenyl)silyl]oxyhept-6-en-3-yl]carbamate

propan-2-yl N-[(3R)-5-[tert-butyl(diphenyl)silyl]oxyhept-6-en-3-yl]carbamate (PubChem CID 67134844) has the molecular formula C27H39NO3Si and a molecular weight of 453.70 g/mol. Its IUPAC name is propan-2-yl N-[(3R)-5-[tert-butyl(diphenyl)silyl]oxyhept-6-en-3-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(3R)-5-[tert-butyl(diphenyl)silyl]oxyhept-6-en-3-yl]carbamate
PubChem CID67134844
Molecular FormulaC27H39NO3Si
Molecular Weight453.70 g/mol
Exact Mass453.27
IUPAC Namepropan-2-yl N-[(3R)-5-[tert-butyl(diphenyl)silyl]oxyhept-6-en-3-yl]carbamate
SMILESC=CC(C[C@@H](CC)NC(=O)OC(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H39NO3Si/c1-8-22(28-26(29)30-21(3)4)20-23(9-2)31-32(27(5,6)7,24-16-12-10-13-17-24)25-18-14-11-15-19-25/h9-19,21-23H,2,8,20H2,1,3-7H3,(H,28,29)/t22-,23?/m1/s1
InChIKeyNNPDMDCECJKQTA-WTQRLHSKSA-N
XLogP5.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.70
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(3R)-5-[tert-butyl(diphenyl)silyl]oxyhept-6-en-3-yl]carbamate?
The IUPAC name of propan-2-yl N-[(3R)-5-[tert-butyl(diphenyl)silyl]oxyhept-6-en-3-yl]carbamate (CID 67134844) is propan-2-yl N-[(3R)-5-[tert-butyl(diphenyl)silyl]oxyhept-6-en-3-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[(3R)-5-[tert-butyl(diphenyl)silyl]oxyhept-6-en-3-yl]carbamate?
The canonical SMILES for propan-2-yl N-[(3R)-5-[tert-butyl(diphenyl)silyl]oxyhept-6-en-3-yl]carbamate is C=CC(C[C@@H](CC)NC(=O)OC(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of propan-2-yl N-[(3R)-5-[tert-butyl(diphenyl)silyl]oxyhept-6-en-3-yl]carbamate?
The InChIKey is NNPDMDCECJKQTA-WTQRLHSKSA-N. The full InChI is InChI=1S/C27H39NO3Si/c1-8-22(28-26(29)30-21(3)4)20-23(9-2)31-32(27(5,6)7,24-16-12-10-13-17-24)25-18-14-11-15-19-25/h9-19,21-23H,2,8,20H2,1,3-7H3,(H,28,29)/t22-,23?/m1/s1.
What are the key properties of propan-2-yl N-[(3R)-5-[tert-butyl(diphenyl)silyl]oxyhept-6-en-3-yl]carbamate?
propan-2-yl N-[(3R)-5-[tert-butyl(diphenyl)silyl]oxyhept-6-en-3-yl]carbamate has a molecular weight of 453.70 g/mol, XLogP of 5.42, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(3R)-5-[tert-butyl(diphenyl)silyl]oxyhept-6-en-3-yl]carbamate is sourced from PubChem (CID 67134844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).