tert-butyl N-(4-hydroxy-4-methylpent-1-en-3-yl)carbamate

C11H21NO3 — CID 11085190

IUPACtert-butyl N-(4-hydroxy-4-methylpent-1-en-3-yl)carbamate
SMILESC=CC(NC(=O)OC(C)(C)C)C(C)(C)O
InChIInChI=1S/C11H21NO3/c1-7-8(11(5,6)14)12-9(13)15-10(2,3)4/h7-8,14H,1H2,2-6H3,(H,12,13)
InChIKeyCRVZVFYOXKPPNK-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.84
Rot. Bonds3

About tert-butyl N-(4-hydroxy-4-methylpent-1-en-3-yl)carbamate

tert-butyl N-(4-hydroxy-4-methylpent-1-en-3-yl)carbamate (PubChem CID 11085190) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl N-(4-hydroxy-4-methylpent-1-en-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-hydroxy-4-methylpent-1-en-3-yl)carbamate
PubChem CID11085190
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl N-(4-hydroxy-4-methylpent-1-en-3-yl)carbamate
SMILESC=CC(NC(=O)OC(C)(C)C)C(C)(C)O
InChIInChI=1S/C11H21NO3/c1-7-8(11(5,6)14)12-9(13)15-10(2,3)4/h7-8,14H,1H2,2-6H3,(H,12,13)
InChIKeyCRVZVFYOXKPPNK-UHFFFAOYSA-N
XLogP1.84
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-hydroxy-4-methylpent-1-en-3-yl)carbamate?
The IUPAC name of tert-butyl N-(4-hydroxy-4-methylpent-1-en-3-yl)carbamate (CID 11085190) is tert-butyl N-(4-hydroxy-4-methylpent-1-en-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-hydroxy-4-methylpent-1-en-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-hydroxy-4-methylpent-1-en-3-yl)carbamate is C=CC(NC(=O)OC(C)(C)C)C(C)(C)O.
What is the InChIKey of tert-butyl N-(4-hydroxy-4-methylpent-1-en-3-yl)carbamate?
The InChIKey is CRVZVFYOXKPPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-7-8(11(5,6)14)12-9(13)15-10(2,3)4/h7-8,14H,1H2,2-6H3,(H,12,13).
What are the key properties of tert-butyl N-(4-hydroxy-4-methylpent-1-en-3-yl)carbamate?
tert-butyl N-(4-hydroxy-4-methylpent-1-en-3-yl)carbamate has a molecular weight of 215.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-hydroxy-4-methylpent-1-en-3-yl)carbamate is sourced from PubChem (CID 11085190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).