tert-butyl N-[(Z,2R,5S)-5-hydroxyhex-3-en-2-yl]carbamate

C11H21NO3 — CID 131243994

IUPACtert-butyl N-[(Z,2R,5S)-5-hydroxyhex-3-en-2-yl]carbamate
SMILESC[C@H](O)/C=C\[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-8(6-7-9(2)13)12-10(14)15-11(3,4)5/h6-9,13H,1-5H3,(H,12,14)/b7-6-/t8-,9+/m1/s1
InChIKeyDUEQNYCJKPZFIP-WVXMWNJGSA-N
MW215.29 g/mol
LogP1.84
Rot. Bonds3

About tert-butyl N-[(Z,2R,5S)-5-hydroxyhex-3-en-2-yl]carbamate

tert-butyl N-[(Z,2R,5S)-5-hydroxyhex-3-en-2-yl]carbamate (PubChem CID 131243994) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl N-[(Z,2R,5S)-5-hydroxyhex-3-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z,2R,5S)-5-hydroxyhex-3-en-2-yl]carbamate
PubChem CID131243994
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl N-[(Z,2R,5S)-5-hydroxyhex-3-en-2-yl]carbamate
SMILESC[C@H](O)/C=C\[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-8(6-7-9(2)13)12-10(14)15-11(3,4)5/h6-9,13H,1-5H3,(H,12,14)/b7-6-/t8-,9+/m1/s1
InChIKeyDUEQNYCJKPZFIP-WVXMWNJGSA-N
XLogP1.84
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
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-[(Z,2R,5S)-5-hydroxyhex-3-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(Z,2R,5S)-5-hydroxyhex-3-en-2-yl]carbamate (CID 131243994) is tert-butyl N-[(Z,2R,5S)-5-hydroxyhex-3-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z,2R,5S)-5-hydroxyhex-3-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(Z,2R,5S)-5-hydroxyhex-3-en-2-yl]carbamate is C[C@H](O)/C=C\[C@@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(Z,2R,5S)-5-hydroxyhex-3-en-2-yl]carbamate?
The InChIKey is DUEQNYCJKPZFIP-WVXMWNJGSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(6-7-9(2)13)12-10(14)15-11(3,4)5/h6-9,13H,1-5H3,(H,12,14)/b7-6-/t8-,9+/m1/s1.
What are the key properties of tert-butyl N-[(Z,2R,5S)-5-hydroxyhex-3-en-2-yl]carbamate?
tert-butyl N-[(Z,2R,5S)-5-hydroxyhex-3-en-2-yl]carbamate has a molecular weight of 215.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z,2R,5S)-5-hydroxyhex-3-en-2-yl]carbamate is sourced from PubChem (CID 131243994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).