tert-butyl N-[(2S,3R)-1,2-dihydroxyhex-5-en-3-yl]-N-prop-2-enylcarbamate

C14H25NO4 — CID 45101552

IUPACtert-butyl N-[(2S,3R)-1,2-dihydroxyhex-5-en-3-yl]-N-prop-2-enylcarbamate
SMILESC=CC[C@H]([C@H](O)CO)N(CC=C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO4/c1-6-8-11(12(17)10-16)15(9-7-2)13(18)19-14(3,4)5/h6-7,11-12,16-17H,1-2,8-10H2,3-5H3/t11-,12-/m1/s1
InChIKeyYFCYCCYQKVJYEP-VXGBXAGGSA-N
MW271.36 g/mol
LogP1.71
Rot. Bonds7

About tert-butyl N-[(2S,3R)-1,2-dihydroxyhex-5-en-3-yl]-N-prop-2-enylcarbamate

tert-butyl N-[(2S,3R)-1,2-dihydroxyhex-5-en-3-yl]-N-prop-2-enylcarbamate (PubChem CID 45101552) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl N-[(2S,3R)-1,2-dihydroxyhex-5-en-3-yl]-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3R)-1,2-dihydroxyhex-5-en-3-yl]-N-prop-2-enylcarbamate
PubChem CID45101552
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nametert-butyl N-[(2S,3R)-1,2-dihydroxyhex-5-en-3-yl]-N-prop-2-enylcarbamate
SMILESC=CC[C@H]([C@H](O)CO)N(CC=C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO4/c1-6-8-11(12(17)10-16)15(9-7-2)13(18)19-14(3,4)5/h6-7,11-12,16-17H,1-2,8-10H2,3-5H3/t11-,12-/m1/s1
InChIKeyYFCYCCYQKVJYEP-VXGBXAGGSA-N
XLogP1.71
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2R,3R)-1,2-dihydroxy-5-methylhex-5-en-3-yl]-N-prop-2-enylcarbamate
CID 23628356
tert-butyl N-[(2R)-1-hydroxy-4-methylpent-4-en-2-yl]-N-prop-2-enylcarbamate
CID 23628358
tert-butyl N-[(2S,3R)-3-hydroxypent-4-en-2-yl]-N-prop-2-enylcarbamate
CID 24854142
tert-butyl N-[(1R)-1-[(2S)-oxiran-2-yl]but-3-enyl]-N-prop-2-enylcarbamate
CID 45101554
tert-butyl N-[(4R,5R)-5-hydroxyhept-1-en-4-yl]-N-prop-2-enylcarbamate
CID 45101555
tert-butyl N-[(2R,3R)-1,2-dihydroxyhex-5-en-3-yl]-N-prop-2-enylcarbamate
CID 56958275
tert-butyl (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 101837015
tert-butyl (4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate
CID 146165269
tert-butyl (2R,4S)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate
CID 11845447
tert-butyl (2R,4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate
CID 11847162
tert-butyl (2S,4S)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate
CID 11847164
tert-butyl (2S,4R)-2-allyl-4-hydroxypyrrolidine-1-carboxylate
CID 11847313

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3R)-1,2-dihydroxyhex-5-en-3-yl]-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-[(2S,3R)-1,2-dihydroxyhex-5-en-3-yl]-N-prop-2-enylcarbamate (CID 45101552) is tert-butyl N-[(2S,3R)-1,2-dihydroxyhex-5-en-3-yl]-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-[(2S,3R)-1,2-dihydroxyhex-5-en-3-yl]-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-[(2S,3R)-1,2-dihydroxyhex-5-en-3-yl]-N-prop-2-enylcarbamate is C=CC[C@H]([C@H](O)CO)N(CC=C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S,3R)-1,2-dihydroxyhex-5-en-3-yl]-N-prop-2-enylcarbamate?
The InChIKey is YFCYCCYQKVJYEP-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H25NO4/c1-6-8-11(12(17)10-16)15(9-7-2)13(18)19-14(3,4)5/h6-7,11-12,16-17H,1-2,8-10H2,3-5H3/t11-,12-/m1/s1.
What are the key properties of tert-butyl N-[(2S,3R)-1,2-dihydroxyhex-5-en-3-yl]-N-prop-2-enylcarbamate?
tert-butyl N-[(2S,3R)-1,2-dihydroxyhex-5-en-3-yl]-N-prop-2-enylcarbamate has a molecular weight of 271.36 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3R)-1,2-dihydroxyhex-5-en-3-yl]-N-prop-2-enylcarbamate is sourced from PubChem (CID 45101552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).