tert-butyl 2,2-dimethyl-4-[(2S)-2-prop-2-enoxypent-4-enyl]-1,3-oxazolidine-3-carboxylate

C18H31NO4 — CID 66895285

IUPACtert-butyl 2,2-dimethyl-4-[(2S)-2-prop-2-enoxypent-4-enyl]-1,3-oxazolidine-3-carboxylate
SMILESC=CCO[C@@H](CC=C)CC1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H31NO4/c1-8-10-15(21-11-9-2)12-14-13-22-18(6,7)19(14)16(20)23-17(3,4)5/h8-9,14-15H,1-2,10-13H2,3-7H3/t14?,15-/m0/s1
InChIKeyYPVUHXDEUFPZMA-LOACHALJSA-N
MW325.45 g/mol
LogP3.90
Rot. Bonds7

About tert-butyl 2,2-dimethyl-4-[(2S)-2-prop-2-enoxypent-4-enyl]-1,3-oxazolidine-3-carboxylate

tert-butyl 2,2-dimethyl-4-[(2S)-2-prop-2-enoxypent-4-enyl]-1,3-oxazolidine-3-carboxylate (PubChem CID 66895285) has the molecular formula C18H31NO4 and a molecular weight of 325.45 g/mol. Its IUPAC name is tert-butyl 2,2-dimethyl-4-[(2S)-2-prop-2-enoxypent-4-enyl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,2-dimethyl-4-[(2S)-2-prop-2-enoxypent-4-enyl]-1,3-oxazolidine-3-carboxylate
PubChem CID66895285
Molecular FormulaC18H31NO4
Molecular Weight325.45 g/mol
Exact Mass325.23
IUPAC Nametert-butyl 2,2-dimethyl-4-[(2S)-2-prop-2-enoxypent-4-enyl]-1,3-oxazolidine-3-carboxylate
SMILESC=CCO[C@@H](CC=C)CC1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H31NO4/c1-8-10-15(21-11-9-2)12-14-13-22-18(6,7)19(14)16(20)23-17(3,4)5/h8-9,14-15H,1-2,10-13H2,3-7H3/t14?,15-/m0/s1
InChIKeyYPVUHXDEUFPZMA-LOACHALJSA-N
XLogP3.90
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 2,2-dimethyl-4-[(2S)-2-prop-2-enoxypent-4-enyl]-1,3-oxazolidine-3-carboxylate with MolForge

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Related Compounds

CID 11129346
CID 11129346
CID 66893587
CID 66893587
CID 11846583
CID 11846583
CID 90987068
CID 90987068
CID 134865983
CID 134865983
CID 134865984
CID 134865984
CID 178342254
CID 178342254
CID 11484227
CID 11484227
CID 10085341
CID 10085341
CID 11369600
CID 11369600
CID 53804525
CID 53804525
CID 58297744
CID 58297744

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,2-dimethyl-4-[(2S)-2-prop-2-enoxypent-4-enyl]-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 2,2-dimethyl-4-[(2S)-2-prop-2-enoxypent-4-enyl]-1,3-oxazolidine-3-carboxylate (CID 66895285) is tert-butyl 2,2-dimethyl-4-[(2S)-2-prop-2-enoxypent-4-enyl]-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 2,2-dimethyl-4-[(2S)-2-prop-2-enoxypent-4-enyl]-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 2,2-dimethyl-4-[(2S)-2-prop-2-enoxypent-4-enyl]-1,3-oxazolidine-3-carboxylate is C=CCO[C@@H](CC=C)CC1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2,2-dimethyl-4-[(2S)-2-prop-2-enoxypent-4-enyl]-1,3-oxazolidine-3-carboxylate?
The InChIKey is YPVUHXDEUFPZMA-LOACHALJSA-N. The full InChI is InChI=1S/C18H31NO4/c1-8-10-15(21-11-9-2)12-14-13-22-18(6,7)19(14)16(20)23-17(3,4)5/h8-9,14-15H,1-2,10-13H2,3-7H3/t14?,15-/m0/s1.
What are the key properties of tert-butyl 2,2-dimethyl-4-[(2S)-2-prop-2-enoxypent-4-enyl]-1,3-oxazolidine-3-carboxylate?
tert-butyl 2,2-dimethyl-4-[(2S)-2-prop-2-enoxypent-4-enyl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 325.45 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,2-dimethyl-4-[(2S)-2-prop-2-enoxypent-4-enyl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 66895285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).