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

C12H23NO3 — CID 141072802

IUPACtert-butyl N-[(2R,3S)-2-hydroxy-5-methylhex-4-en-3-yl]carbamate
SMILESCC(C)=C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O
InChIInChI=1S/C12H23NO3/c1-8(2)7-10(9(3)14)13-11(15)16-12(4,5)6/h7,9-10,14H,1-6H3,(H,13,15)/t9-,10+/m1/s1
InChIKeyHQZLLISORRQIGD-ZJUUUORDSA-N
MW229.32 g/mol
LogP2.23
Rot. Bonds3

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

tert-butyl N-[(2R,3S)-2-hydroxy-5-methylhex-4-en-3-yl]carbamate (PubChem CID 141072802) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl N-[(2R,3S)-2-hydroxy-5-methylhex-4-en-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3S)-2-hydroxy-5-methylhex-4-en-3-yl]carbamate
PubChem CID141072802
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl N-[(2R,3S)-2-hydroxy-5-methylhex-4-en-3-yl]carbamate
SMILESCC(C)=C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O
InChIInChI=1S/C12H23NO3/c1-8(2)7-10(9(3)14)13-11(15)16-12(4,5)6/h7,9-10,14H,1-6H3,(H,13,15)/t9-,10+/m1/s1
InChIKeyHQZLLISORRQIGD-ZJUUUORDSA-N
XLogP2.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.23
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 (1-hydroxybut-3-en-2-yl)carbamate
CID 13517889
tert-butyl N-(1-hydroxyhex-4-en-2-yl)carbamate
CID 75431956
(S)-tert-butyl 1-hydroxybut-3-en-2-ylcarbamate
CID 11041481
(S,E)-tert-Butyl 8-hydroxy-2-methyloct-5-en-4-ylcarbamate
CID 53248331
tert-butyl N-(4-hydroxypent-1-en-3-yl)carbamate
CID 72324601
tert-butyl N-[(E)-3-fluoro-5-hydroxypent-2-enyl]carbamate
CID 23394353
(Z)-tert-Butyl (3-fluoro-5-hydroxypent-2-en-1-yl)carbamate
CID 60037139
tert-butyl N-(3-fluoro-5-hydroxypent-2-enyl)carbamate
CID 74047295
tert-butyl N-[(3Z)-5-chloro-4-fluoro-1-hydroxy-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]carbamate
CID 130349769
tert-butyl N-[(4E)-5,6-difluoro-1-hydroxy-3-methylidenehepta-4,6-dien-2-yl]carbamate
CID 142559315
tert-butyl N-[(2S)-3-hydroxyhex-5-en-2-yl]carbamate
CID 131165381
tert-butyl N-(4-hydroxy-4-methylpent-1-en-3-yl)carbamate
CID 11085190

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3S)-2-hydroxy-5-methylhex-4-en-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3S)-2-hydroxy-5-methylhex-4-en-3-yl]carbamate (CID 141072802) is tert-butyl N-[(2R,3S)-2-hydroxy-5-methylhex-4-en-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3S)-2-hydroxy-5-methylhex-4-en-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3S)-2-hydroxy-5-methylhex-4-en-3-yl]carbamate is CC(C)=C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O.
What is the InChIKey of tert-butyl N-[(2R,3S)-2-hydroxy-5-methylhex-4-en-3-yl]carbamate?
The InChIKey is HQZLLISORRQIGD-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H23NO3/c1-8(2)7-10(9(3)14)13-11(15)16-12(4,5)6/h7,9-10,14H,1-6H3,(H,13,15)/t9-,10+/m1/s1.
What are the key properties of tert-butyl N-[(2R,3S)-2-hydroxy-5-methylhex-4-en-3-yl]carbamate?
tert-butyl N-[(2R,3S)-2-hydroxy-5-methylhex-4-en-3-yl]carbamate has a molecular weight of 229.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3S)-2-hydroxy-5-methylhex-4-en-3-yl]carbamate is sourced from PubChem (CID 141072802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).