tert-butyl N-[(Z)-6-hydroxy-2-methylhex-4-en-3-yl]carbamate

C12H23NO3 — CID 5365054

IUPACtert-butyl N-[(Z)-6-hydroxy-2-methylhex-4-en-3-yl]carbamate
SMILESCC(C)C(/C=C\CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO3/c1-9(2)10(7-6-8-14)13-11(15)16-12(3,4)5/h6-7,9-10,14H,8H2,1-5H3,(H,13,15)/b7-6-
InChIKeySEKOHZQPZZOGMU-SREVYHEPSA-N
MW229.32 g/mol
LogP2.08
Rot. Bonds4

About tert-butyl N-[(Z)-6-hydroxy-2-methylhex-4-en-3-yl]carbamate

tert-butyl N-[(Z)-6-hydroxy-2-methylhex-4-en-3-yl]carbamate (PubChem CID 5365054) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl N-[(Z)-6-hydroxy-2-methylhex-4-en-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-6-hydroxy-2-methylhex-4-en-3-yl]carbamate
PubChem CID5365054
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl N-[(Z)-6-hydroxy-2-methylhex-4-en-3-yl]carbamate
SMILESCC(C)C(/C=C\CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO3/c1-9(2)10(7-6-8-14)13-11(15)16-12(3,4)5/h6-7,9-10,14H,8H2,1-5H3,(H,13,15)/b7-6-
InChIKeySEKOHZQPZZOGMU-SREVYHEPSA-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-(1-hydroxyhex-4-en-2-yl)carbamate
CID 75431956
1,1-Dimethylethyl N-((1S,2E)-4-hydroxy-1-methyl-2-buten-1-yl)carbamate
CID 11063470
2-Methyl-2-propanyl [(4Z)-6-hydroxy-4-hexen-1-yl]carbamate
CID 5364943
Tert-butyl ((1S,4R)-4-hydroxycyclopent-2-EN-1-YL)carbamate
CID 10856477
(S,E)-tert-Butyl 8-hydroxy-2-methyloct-5-en-4-ylcarbamate
CID 53248331
tert-butyl N-[(E,3S)-6-hydroxy-2-methylhex-4-en-3-yl]carbamate
CID 10059711
tert-butyl N-[(2S,3S,4Z)-3-hydroxyhepta-4,6-dien-2-yl]carbamate
CID 102412243
tert-butyl N-[(2S,3R)-1-hydroxy-3,5-dimethylhex-4-en-2-yl]carbamate
CID 130752711
tert-butyl N-[(E,3S)-6-hydroxyhex-4-en-3-yl]carbamate
CID 131232531
tert-butyl N-[(Z,2R,5S)-5-hydroxyhex-3-en-2-yl]carbamate
CID 131243994
tert-butyl N-[(Z,2R,5R)-5,6-dihydroxyhex-3-en-2-yl]carbamate
CID 134971055
tert-butyl N-[(Z,2R,5R)-1,5-dihydroxyhex-3-en-2-yl]carbamate
CID 134971084

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-6-hydroxy-2-methylhex-4-en-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-6-hydroxy-2-methylhex-4-en-3-yl]carbamate (CID 5365054) is tert-butyl N-[(Z)-6-hydroxy-2-methylhex-4-en-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-6-hydroxy-2-methylhex-4-en-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-6-hydroxy-2-methylhex-4-en-3-yl]carbamate is CC(C)C(/C=C\CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(Z)-6-hydroxy-2-methylhex-4-en-3-yl]carbamate?
The InChIKey is SEKOHZQPZZOGMU-SREVYHEPSA-N. The full InChI is InChI=1S/C12H23NO3/c1-9(2)10(7-6-8-14)13-11(15)16-12(3,4)5/h6-7,9-10,14H,8H2,1-5H3,(H,13,15)/b7-6-.
What are the key properties of tert-butyl N-[(Z)-6-hydroxy-2-methylhex-4-en-3-yl]carbamate?
tert-butyl N-[(Z)-6-hydroxy-2-methylhex-4-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-[(Z)-6-hydroxy-2-methylhex-4-en-3-yl]carbamate is sourced from PubChem (CID 5365054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).