tert-butyl N-[(2R,3R,5S)-2,5-dimethyl-6-prop-2-enyloxan-3-yl]carbamate

C15H27NO3 — CID 130455914

IUPACtert-butyl N-[(2R,3R,5S)-2,5-dimethyl-6-prop-2-enyloxan-3-yl]carbamate
SMILESC=CCC1O[C@H](C)[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C
InChIInChI=1S/C15H27NO3/c1-7-8-13-10(2)9-12(11(3)18-13)16-14(17)19-15(4,5)6/h7,10-13H,1,8-9H2,2-6H3,(H,16,17)/t10-,11+,12+,13?/m0/s1
InChIKeyXZOYPHIIEILQHM-VCKSIFHUSA-N
MW269.38 g/mol
LogP3.27
Rot. Bonds3

About tert-butyl N-[(2R,3R,5S)-2,5-dimethyl-6-prop-2-enyloxan-3-yl]carbamate

tert-butyl N-[(2R,3R,5S)-2,5-dimethyl-6-prop-2-enyloxan-3-yl]carbamate (PubChem CID 130455914) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is tert-butyl N-[(2R,3R,5S)-2,5-dimethyl-6-prop-2-enyloxan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3R,5S)-2,5-dimethyl-6-prop-2-enyloxan-3-yl]carbamate
PubChem CID130455914
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nametert-butyl N-[(2R,3R,5S)-2,5-dimethyl-6-prop-2-enyloxan-3-yl]carbamate
SMILESC=CCC1O[C@H](C)[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C
InChIInChI=1S/C15H27NO3/c1-7-8-13-10(2)9-12(11(3)18-13)16-14(17)19-15(4,5)6/h7,10-13H,1,8-9H2,2-6H3,(H,16,17)/t10-,11+,12+,13?/m0/s1
InChIKeyXZOYPHIIEILQHM-VCKSIFHUSA-N
XLogP3.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3R,5S)-2,5-dimethyl-6-prop-2-enyloxan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3R,5S)-2,5-dimethyl-6-prop-2-enyloxan-3-yl]carbamate (CID 130455914) is tert-butyl N-[(2R,3R,5S)-2,5-dimethyl-6-prop-2-enyloxan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3R,5S)-2,5-dimethyl-6-prop-2-enyloxan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3R,5S)-2,5-dimethyl-6-prop-2-enyloxan-3-yl]carbamate is C=CCC1O[C@H](C)[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C.
What is the InChIKey of tert-butyl N-[(2R,3R,5S)-2,5-dimethyl-6-prop-2-enyloxan-3-yl]carbamate?
The InChIKey is XZOYPHIIEILQHM-VCKSIFHUSA-N. The full InChI is InChI=1S/C15H27NO3/c1-7-8-13-10(2)9-12(11(3)18-13)16-14(17)19-15(4,5)6/h7,10-13H,1,8-9H2,2-6H3,(H,16,17)/t10-,11+,12+,13?/m0/s1.
What are the key properties of tert-butyl N-[(2R,3R,5S)-2,5-dimethyl-6-prop-2-enyloxan-3-yl]carbamate?
tert-butyl N-[(2R,3R,5S)-2,5-dimethyl-6-prop-2-enyloxan-3-yl]carbamate has a molecular weight of 269.38 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3R,5S)-2,5-dimethyl-6-prop-2-enyloxan-3-yl]carbamate is sourced from PubChem (CID 130455914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).