tert-butyl N-hydroxy-N-(5-methylhex-1-en-3-yl)carbamate

C12H23NO3 — CID 11593809

IUPACtert-butyl N-hydroxy-N-(5-methylhex-1-en-3-yl)carbamate
SMILESC=CC(CC(C)C)N(O)C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO3/c1-7-10(8-9(2)3)13(15)11(14)16-12(4,5)6/h7,9-10,15H,1,8H2,2-6H3
InChIKeyWTRLDSZGYOLQEM-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.21
Rot. Bonds4

About tert-butyl N-hydroxy-N-(5-methylhex-1-en-3-yl)carbamate

tert-butyl N-hydroxy-N-(5-methylhex-1-en-3-yl)carbamate (PubChem CID 11593809) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl N-hydroxy-N-(5-methylhex-1-en-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-hydroxy-N-(5-methylhex-1-en-3-yl)carbamate
PubChem CID11593809
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl N-hydroxy-N-(5-methylhex-1-en-3-yl)carbamate
SMILESC=CC(CC(C)C)N(O)C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO3/c1-7-10(8-9(2)3)13(15)11(14)16-12(4,5)6/h7,9-10,15H,1,8H2,2-6H3
InChIKeyWTRLDSZGYOLQEM-UHFFFAOYSA-N
XLogP3.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-hex-1-en-3-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 14143447
tert-butyl N-hydroxy-N-(1-oxopropan-2-yl)carbamate
CID 141352721
tert-butyl N-hydroxy-N-[(2S)-1-hydroxypent-4-en-2-yl]carbamate
CID 162406608
tert-butyl N-(5-methylhex-1-en-3-yl)-N-[(E)-pyridin-2-ylmethylideneamino]carbamate
CID 44607945
tert-butyl N-hydroxy-N-(3-oxopentan-2-yl)carbamate
CID 87963797
tert-butyl N-[(3R)-5-methylhex-1-en-3-yl]carbamate
CID 51357111
tert-butyl N-ethenyl-N-propan-2-ylcarbamate
CID 88918328
tert-butyl N-ethyl-N-(3-methylbutyl)carbamate;prop-1-ene
CID 143879621
tert-butyl N-butan-2-yl-N-prop-2-enylcarbamate
CID 10375927
tert-butyl N-[(2S)-2-amino-4-methylpentanoyl]-N-methylcarbamate
CID 154001260
tert-butyl N-hydroxy-N-pent-3-yn-2-ylcarbamate
CID 101374603
tert-butyl N-(1-hydroxy-5-methyl-2-oxohexan-3-yl)-N-methylcarbamate
CID 23567010

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-hydroxy-N-(5-methylhex-1-en-3-yl)carbamate?
The IUPAC name of tert-butyl N-hydroxy-N-(5-methylhex-1-en-3-yl)carbamate (CID 11593809) is tert-butyl N-hydroxy-N-(5-methylhex-1-en-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-hydroxy-N-(5-methylhex-1-en-3-yl)carbamate?
The canonical SMILES for tert-butyl N-hydroxy-N-(5-methylhex-1-en-3-yl)carbamate is C=CC(CC(C)C)N(O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-hydroxy-N-(5-methylhex-1-en-3-yl)carbamate?
The InChIKey is WTRLDSZGYOLQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-7-10(8-9(2)3)13(15)11(14)16-12(4,5)6/h7,9-10,15H,1,8H2,2-6H3.
What are the key properties of tert-butyl N-hydroxy-N-(5-methylhex-1-en-3-yl)carbamate?
tert-butyl N-hydroxy-N-(5-methylhex-1-en-3-yl)carbamate has a molecular weight of 229.32 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-hydroxy-N-(5-methylhex-1-en-3-yl)carbamate is sourced from PubChem (CID 11593809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).