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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Related Compounds

methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-oxohept-6-enoate
CID 171567875
3-[tert-butyl(diphenyl)silyl]oxypent-4-enal
CID 85402432
prop-2-enyl (3S,5R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-6-oxohexanoate
CID 14669635
prop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate
CID 11079127
[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102238795
methyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoate
CID 11303215
(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol
CID 102030687
[(4R,6S)-4,6-bis[[tert-butyl(diphenyl)silyl]oxy]oct-7-en-1-ynyl]-trimethylsilane
CID 139649655
(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-4-en-1-ol
CID 175160919
ethyl (E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-enoate
CID 11153695
N-[(3R,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-1-en-3-yl]-2,2,2-trichloroacetamide
CID 11318238
methyl 3-[tert-butyl(diphenyl)silyl]oxybutanoate;sulfane
CID 161259126

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).