tert-butyl N-[(3R,4R)-4-hydroxy-2-methylhex-5-en-3-yl]carbamate

C12H23NO3 — CID 102037530

IUPACtert-butyl N-[(3R,4R)-4-hydroxy-2-methylhex-5-en-3-yl]carbamate
SMILESC=C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C12H23NO3/c1-7-9(14)10(8(2)3)13-11(15)16-12(4,5)6/h7-10,14H,1H2,2-6H3,(H,13,15)/t9-,10-/m1/s1
InChIKeyPUJZPMGNMZHBAB-NXEZZACHSA-N
MW229.32 g/mol
LogP2.08
Rot. Bonds4

About tert-butyl N-[(3R,4R)-4-hydroxy-2-methylhex-5-en-3-yl]carbamate

tert-butyl N-[(3R,4R)-4-hydroxy-2-methylhex-5-en-3-yl]carbamate (PubChem CID 102037530) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl N-[(3R,4R)-4-hydroxy-2-methylhex-5-en-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,4R)-4-hydroxy-2-methylhex-5-en-3-yl]carbamate
PubChem CID102037530
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl N-[(3R,4R)-4-hydroxy-2-methylhex-5-en-3-yl]carbamate
SMILESC=C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C12H23NO3/c1-7-9(14)10(8(2)3)13-11(15)16-12(4,5)6/h7-10,14H,1H2,2-6H3,(H,13,15)/t9-,10-/m1/s1
InChIKeyPUJZPMGNMZHBAB-NXEZZACHSA-N
XLogP2.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(2-hydroxybut-3-en-1-yl)carbamate
CID 9815466
tert-butyl N-(1-hydroxyhex-4-en-2-yl)carbamate
CID 75431956
(2S,3R)-2-(Boc-amino)pent-4-ene-1,3-diol
CID 10536746
tert-butyl N-[(2R,3S)-1,3-dihydroxypent-4-en-2-yl]carbamate
CID 10680284
tert-butyl N-(4-hydroxypent-1-en-3-yl)carbamate
CID 72324601
tert-butyl N-[(2S)-3-hydroxyhex-5-en-2-yl]carbamate
CID 131165381
tert-butyl N-[(3S,4S)-4-hydroxy-2,2-dimethylhex-5-en-3-yl]carbamate
CID 10421896
tert-butyl N-[(3S,4S,5S)-5-hydroxy-3-methyloct-7-en-4-yl]carbamate
CID 10634903
tert-butyl N-[(4S,5S)-5-hydroxyhept-1-en-4-yl]carbamate
CID 25137290
tert-butyl N-(4-hydroxy-5,5-dimethylhex-1-en-3-yl)carbamate
CID 129987167
tert-butyl N-(4-hydroxyhex-1-en-3-yl)carbamate
CID 129987168
tert-butyl N-(4-hydroxy-5-methylhex-1-en-3-yl)carbamate
CID 129987169

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,4R)-4-hydroxy-2-methylhex-5-en-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,4R)-4-hydroxy-2-methylhex-5-en-3-yl]carbamate (CID 102037530) is tert-butyl N-[(3R,4R)-4-hydroxy-2-methylhex-5-en-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,4R)-4-hydroxy-2-methylhex-5-en-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,4R)-4-hydroxy-2-methylhex-5-en-3-yl]carbamate is C=C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[(3R,4R)-4-hydroxy-2-methylhex-5-en-3-yl]carbamate?
The InChIKey is PUJZPMGNMZHBAB-NXEZZACHSA-N. The full InChI is InChI=1S/C12H23NO3/c1-7-9(14)10(8(2)3)13-11(15)16-12(4,5)6/h7-10,14H,1H2,2-6H3,(H,13,15)/t9-,10-/m1/s1.
What are the key properties of tert-butyl N-[(3R,4R)-4-hydroxy-2-methylhex-5-en-3-yl]carbamate?
tert-butyl N-[(3R,4R)-4-hydroxy-2-methylhex-5-en-3-yl]carbamate has a molecular weight of 229.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,4R)-4-hydroxy-2-methylhex-5-en-3-yl]carbamate is sourced from PubChem (CID 102037530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).