butyl N-(1-hydroxy-2-methylpropan-2-yl)carbamate

C9H19NO3 — CID 22326948

IUPACbutyl N-(1-hydroxy-2-methylpropan-2-yl)carbamate
SMILESCCCCOC(=O)NC(C)(C)CO
InChIInChI=1S/C9H19NO3/c1-4-5-6-13-8(12)10-9(2,3)7-11/h11H,4-7H2,1-3H3,(H,10,12)
InChIKeyXZQQFNFLIKLYEX-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.28
Rot. Bonds5

About butyl N-(1-hydroxy-2-methylpropan-2-yl)carbamate

butyl N-(1-hydroxy-2-methylpropan-2-yl)carbamate (PubChem CID 22326948) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is butyl N-(1-hydroxy-2-methylpropan-2-yl)carbamate.

Molecular Properties

Compound Namebutyl N-(1-hydroxy-2-methylpropan-2-yl)carbamate
PubChem CID22326948
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Namebutyl N-(1-hydroxy-2-methylpropan-2-yl)carbamate
SMILESCCCCOC(=O)NC(C)(C)CO
InChIInChI=1S/C9H19NO3/c1-4-5-6-13-8(12)10-9(2,3)7-11/h11H,4-7H2,1-3H3,(H,10,12)
InChIKeyXZQQFNFLIKLYEX-UHFFFAOYSA-N
XLogP1.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl N-(1-hydroxy-2-methylpropan-2-yl)carbamate?
The IUPAC name of butyl N-(1-hydroxy-2-methylpropan-2-yl)carbamate (CID 22326948) is butyl N-(1-hydroxy-2-methylpropan-2-yl)carbamate.
What is the SMILES notation for butyl N-(1-hydroxy-2-methylpropan-2-yl)carbamate?
The canonical SMILES for butyl N-(1-hydroxy-2-methylpropan-2-yl)carbamate is CCCCOC(=O)NC(C)(C)CO.
What is the InChIKey of butyl N-(1-hydroxy-2-methylpropan-2-yl)carbamate?
The InChIKey is XZQQFNFLIKLYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-4-5-6-13-8(12)10-9(2,3)7-11/h11H,4-7H2,1-3H3,(H,10,12).
What are the key properties of butyl N-(1-hydroxy-2-methylpropan-2-yl)carbamate?
butyl N-(1-hydroxy-2-methylpropan-2-yl)carbamate has a molecular weight of 189.25 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(1-hydroxy-2-methylpropan-2-yl)carbamate is sourced from PubChem (CID 22326948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).