tert-butyl N-(1-hydroxy-2,4-dimethylpent-3-en-2-yl)carbamate

C12H23NO3 — CID 166473368

IUPACtert-butyl N-(1-hydroxy-2,4-dimethylpent-3-en-2-yl)carbamate
SMILESCC(C)=CC(C)(CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO3/c1-9(2)7-12(6,8-14)13-10(15)16-11(3,4)5/h7,14H,8H2,1-6H3,(H,13,15)
InChIKeyUGOHLKIULPUJEO-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.23
Rot. Bonds3

About tert-butyl N-(1-hydroxy-2,4-dimethylpent-3-en-2-yl)carbamate

tert-butyl N-(1-hydroxy-2,4-dimethylpent-3-en-2-yl)carbamate (PubChem CID 166473368) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl N-(1-hydroxy-2,4-dimethylpent-3-en-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-hydroxy-2,4-dimethylpent-3-en-2-yl)carbamate
PubChem CID166473368
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl N-(1-hydroxy-2,4-dimethylpent-3-en-2-yl)carbamate
SMILESCC(C)=CC(C)(CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO3/c1-9(2)7-12(6,8-14)13-10(15)16-11(3,4)5/h7,14H,8H2,1-6H3,(H,13,15)
InChIKeyUGOHLKIULPUJEO-UHFFFAOYSA-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 N-[3-(hydroxymethyl)pentan-3-yl]carbamate
CID 62517962
tert-butyl N-(2,4-dimethyl-1-oxopentan-2-yl)carbamate
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tert-butyl N-[(2S)-2-methyl-1-oxohexan-2-yl]carbamate
CID 122599124
tert-butyl N-[(2S)-1-hydroxy-2-methyl-3-oxopentan-2-yl]carbamate
CID 144773480
tert-butyl N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]carbamate
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tert-butyl N-(2-methyl-1,3-dioxobutan-2-yl)carbamate
CID 59460326
tert-butyl N-(2-methyl-4-oxobutan-2-yl)carbamate
CID 11788901
tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate
CID 74079206
tert-butyl N-(1-cyclopentyl-2-methyl-3-oxopropan-2-yl)carbamate
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acetic acid;tert-butyl N-aminocarbamate
CID 174608013
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CID 10845899

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-hydroxy-2,4-dimethylpent-3-en-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-hydroxy-2,4-dimethylpent-3-en-2-yl)carbamate (CID 166473368) is tert-butyl N-(1-hydroxy-2,4-dimethylpent-3-en-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-hydroxy-2,4-dimethylpent-3-en-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-hydroxy-2,4-dimethylpent-3-en-2-yl)carbamate is CC(C)=CC(C)(CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-hydroxy-2,4-dimethylpent-3-en-2-yl)carbamate?
The InChIKey is UGOHLKIULPUJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-9(2)7-12(6,8-14)13-10(15)16-11(3,4)5/h7,14H,8H2,1-6H3,(H,13,15).
What are the key properties of tert-butyl N-(1-hydroxy-2,4-dimethylpent-3-en-2-yl)carbamate?
tert-butyl N-(1-hydroxy-2,4-dimethylpent-3-en-2-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-(1-hydroxy-2,4-dimethylpent-3-en-2-yl)carbamate is sourced from PubChem (CID 166473368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).