tert-butyl (4R,5S)-5-[(2S,3R,4R)-3-hydroxy-4-methylhex-5-en-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate

C18H33NO4 — CID 11163230

IUPACtert-butyl (4R,5S)-5-[(2S,3R,4R)-3-hydroxy-4-methylhex-5-en-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
SMILESC=C[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C
InChIInChI=1S/C18H33NO4/c1-10-11(2)14(20)12(3)15-13(4)19(18(8,9)22-15)16(21)23-17(5,6)7/h10-15,20H,1H2,2-9H3/t11-,12+,13-,14-,15+/m1/s1
InChIKeyFBFBHMFJYSHVAI-KHMAMNHCSA-N
MW327.47 g/mol
LogP3.57
Rot. Bonds4

About tert-butyl (4R,5S)-5-[(2S,3R,4R)-3-hydroxy-4-methylhex-5-en-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R,5S)-5-[(2S,3R,4R)-3-hydroxy-4-methylhex-5-en-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11163230) has the molecular formula C18H33NO4 and a molecular weight of 327.47 g/mol. Its IUPAC name is tert-butyl (4R,5S)-5-[(2S,3R,4R)-3-hydroxy-4-methylhex-5-en-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R,5S)-5-[(2S,3R,4R)-3-hydroxy-4-methylhex-5-en-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID11163230
Molecular FormulaC18H33NO4
Molecular Weight327.47 g/mol
Exact Mass327.24
IUPAC Nametert-butyl (4R,5S)-5-[(2S,3R,4R)-3-hydroxy-4-methylhex-5-en-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
SMILESC=C[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C
InChIInChI=1S/C18H33NO4/c1-10-11(2)14(20)12(3)15-13(4)19(18(8,9)22-15)16(21)23-17(5,6)7/h10-15,20H,1H2,2-9H3/t11-,12+,13-,14-,15+/m1/s1
InChIKeyFBFBHMFJYSHVAI-KHMAMNHCSA-N
XLogP3.57
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

tert-butyl (4S)-4-[(1S)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10107242
tert-butyl (4S)-4-[(1R)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10468424
tert-butyl (4R)-4-[(1S)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11119194
tert-butyl (4S)-4-(1-hydroxybut-3-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 15213827
tert-butyl (4S)-4-[(1R)-1-hydroxypent-4-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10968083
tert-butyl (4S)-4-[(1R,2R)-1-hydroxy-2-methylbut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10565080
tert-butyl (4R)-4-[(1R)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11807798
tert-butyl (4S)-4-[(1S,2S)-1-hydroxy-2-methylbut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 14928564
tert-butyl (4R,5S)-5-[(2S,3R,4R,5E,7E,9E)-3-hydroxy-4,7-dimethyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)deca-5,7,9-trien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 24824289
tert-butyl (4R,5S)-5-[(E,2S,3R,4R)-3-hydroxy-6-iodo-4-methylhex-5-en-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 24824419
tert-butyl (4S,5S)-5-but-3-enyl-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate
CID 134870516
tert-butyl (4R,5S)-2,2,4-trimethyl-5-[(2R,3R,4R)-4-methyl-3-triethylsilyloxyhex-5-en-2-yl]-1,3-oxazolidine-3-carboxylate
CID 134940881

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R,5S)-5-[(2S,3R,4R)-3-hydroxy-4-methylhex-5-en-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R,5S)-5-[(2S,3R,4R)-3-hydroxy-4-methylhex-5-en-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate (CID 11163230) is tert-butyl (4R,5S)-5-[(2S,3R,4R)-3-hydroxy-4-methylhex-5-en-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R,5S)-5-[(2S,3R,4R)-3-hydroxy-4-methylhex-5-en-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R,5S)-5-[(2S,3R,4R)-3-hydroxy-4-methylhex-5-en-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate is C=C[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C.
What is the InChIKey of tert-butyl (4R,5S)-5-[(2S,3R,4R)-3-hydroxy-4-methylhex-5-en-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is FBFBHMFJYSHVAI-KHMAMNHCSA-N. The full InChI is InChI=1S/C18H33NO4/c1-10-11(2)14(20)12(3)15-13(4)19(18(8,9)22-15)16(21)23-17(5,6)7/h10-15,20H,1H2,2-9H3/t11-,12+,13-,14-,15+/m1/s1.
What are the key properties of tert-butyl (4R,5S)-5-[(2S,3R,4R)-3-hydroxy-4-methylhex-5-en-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R,5S)-5-[(2S,3R,4R)-3-hydroxy-4-methylhex-5-en-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 327.47 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R,5S)-5-[(2S,3R,4R)-3-hydroxy-4-methylhex-5-en-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11163230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).