tert-butyl N-hydroxy-N-(5-methylhexa-3,4-dienyl)carbamate

C12H21NO3 — CID 46186561

IUPACtert-butyl N-hydroxy-N-(5-methylhexa-3,4-dienyl)carbamate
SMILESCC(C)=C=CCCN(O)C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO3/c1-10(2)8-6-7-9-13(15)11(14)16-12(3,4)5/h6,15H,7,9H2,1-5H3
InChIKeyVKKARSBRNKOGQG-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.12
Rot. Bonds3

About tert-butyl N-hydroxy-N-(5-methylhexa-3,4-dienyl)carbamate

tert-butyl N-hydroxy-N-(5-methylhexa-3,4-dienyl)carbamate (PubChem CID 46186561) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is tert-butyl N-hydroxy-N-(5-methylhexa-3,4-dienyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-hydroxy-N-(5-methylhexa-3,4-dienyl)carbamate
PubChem CID46186561
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nametert-butyl N-hydroxy-N-(5-methylhexa-3,4-dienyl)carbamate
SMILESCC(C)=C=CCCN(O)C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO3/c1-10(2)8-6-7-9-13(15)11(14)16-12(3,4)5/h6,15H,7,9H2,1-5H3
InChIKeyVKKARSBRNKOGQG-UHFFFAOYSA-N
XLogP3.12
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 86028321
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tert-butyl N-methyl-N-pent-4-enylcarbamate
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tert-butyl N-acetyl-N-methylcarbamate
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tert-butyl N-(2-hydroxyethyl)-N-[2-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
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tert-butyl N,N-bis(2-fluoroethyl)carbamate
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3-[2-carboxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
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tert-butyl N-(aminomethyl)-N-ethylcarbamate
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2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-hydroxy-N-(5-methylhexa-3,4-dienyl)carbamate?
The IUPAC name of tert-butyl N-hydroxy-N-(5-methylhexa-3,4-dienyl)carbamate (CID 46186561) is tert-butyl N-hydroxy-N-(5-methylhexa-3,4-dienyl)carbamate.
What is the SMILES notation for tert-butyl N-hydroxy-N-(5-methylhexa-3,4-dienyl)carbamate?
The canonical SMILES for tert-butyl N-hydroxy-N-(5-methylhexa-3,4-dienyl)carbamate is CC(C)=C=CCCN(O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-hydroxy-N-(5-methylhexa-3,4-dienyl)carbamate?
The InChIKey is VKKARSBRNKOGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-10(2)8-6-7-9-13(15)11(14)16-12(3,4)5/h6,15H,7,9H2,1-5H3.
What are the key properties of tert-butyl N-hydroxy-N-(5-methylhexa-3,4-dienyl)carbamate?
tert-butyl N-hydroxy-N-(5-methylhexa-3,4-dienyl)carbamate has a molecular weight of 227.30 g/mol, XLogP of 3.12, 3 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-methylhexa-3,4-dienyl)carbamate is sourced from PubChem (CID 46186561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).