tert-butyl N-[(Z,2R,5R)-1,5-dihydroxyhex-3-en-2-yl]carbamate

C11H21NO4 — CID 134971084

IUPACtert-butyl N-[(Z,2R,5R)-1,5-dihydroxyhex-3-en-2-yl]carbamate
SMILESC[C@@H](O)/C=C\[C@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-8(14)5-6-9(7-13)12-10(15)16-11(2,3)4/h5-6,8-9,13-14H,7H2,1-4H3,(H,12,15)/b6-5-/t8-,9-/m1/s1
InChIKeyGESUCYFZPCSFIE-JJKLJZTJSA-N
MW231.29 g/mol
LogP0.81
Rot. Bonds4

About tert-butyl N-[(Z,2R,5R)-1,5-dihydroxyhex-3-en-2-yl]carbamate

tert-butyl N-[(Z,2R,5R)-1,5-dihydroxyhex-3-en-2-yl]carbamate (PubChem CID 134971084) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is tert-butyl N-[(Z,2R,5R)-1,5-dihydroxyhex-3-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z,2R,5R)-1,5-dihydroxyhex-3-en-2-yl]carbamate
PubChem CID134971084
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nametert-butyl N-[(Z,2R,5R)-1,5-dihydroxyhex-3-en-2-yl]carbamate
SMILESC[C@@H](O)/C=C\[C@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-8(14)5-6-9(7-13)12-10(15)16-11(2,3)4/h5-6,8-9,13-14H,7H2,1-4H3,(H,12,15)/b6-5-/t8-,9-/m1/s1
InChIKeyGESUCYFZPCSFIE-JJKLJZTJSA-N
XLogP0.81
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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,5R)-1,5-dihydroxyhex-3-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(Z,2R,5R)-1,5-dihydroxyhex-3-en-2-yl]carbamate (CID 134971084) is tert-butyl N-[(Z,2R,5R)-1,5-dihydroxyhex-3-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z,2R,5R)-1,5-dihydroxyhex-3-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(Z,2R,5R)-1,5-dihydroxyhex-3-en-2-yl]carbamate is C[C@@H](O)/C=C\[C@H](CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(Z,2R,5R)-1,5-dihydroxyhex-3-en-2-yl]carbamate?
The InChIKey is GESUCYFZPCSFIE-JJKLJZTJSA-N. The full InChI is InChI=1S/C11H21NO4/c1-8(14)5-6-9(7-13)12-10(15)16-11(2,3)4/h5-6,8-9,13-14H,7H2,1-4H3,(H,12,15)/b6-5-/t8-,9-/m1/s1.
What are the key properties of tert-butyl N-[(Z,2R,5R)-1,5-dihydroxyhex-3-en-2-yl]carbamate?
tert-butyl N-[(Z,2R,5R)-1,5-dihydroxyhex-3-en-2-yl]carbamate has a molecular weight of 231.29 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z,2R,5R)-1,5-dihydroxyhex-3-en-2-yl]carbamate is sourced from PubChem (CID 134971084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).