2-butoxyethyl carbamate

C7H15NO3 — CID 27621

IUPAC2-butoxyethyl carbamate
SMILESCCCCOCCOC(N)=O
InChIInChI=1S/C7H15NO3/c1-2-3-4-10-5-6-11-7(8)9/h2-6H2,1H3,(H2,8,9)
InChIKeyQHHQZURUTXQADT-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.90
Rot. Bonds6

About 2-butoxyethyl carbamate

2-butoxyethyl carbamate (PubChem CID 27621) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-butoxyethyl carbamate.

Molecular Properties

Compound Name2-butoxyethyl carbamate
PubChem CID27621
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name2-butoxyethyl carbamate
SMILESCCCCOCCOC(N)=O
InChIInChI=1S/C7H15NO3/c1-2-3-4-10-5-6-11-7(8)9/h2-6H2,1H3,(H2,8,9)
InChIKeyQHHQZURUTXQADT-UHFFFAOYSA-N
XLogP0.90
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.90
H-Bond Donors ≤ 51
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 2-butoxyethyl carbamate?
The IUPAC name of 2-butoxyethyl carbamate (CID 27621) is 2-butoxyethyl carbamate.
What is the SMILES notation for 2-butoxyethyl carbamate?
The canonical SMILES for 2-butoxyethyl carbamate is CCCCOCCOC(N)=O.
What is the InChIKey of 2-butoxyethyl carbamate?
The InChIKey is QHHQZURUTXQADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-2-3-4-10-5-6-11-7(8)9/h2-6H2,1H3,(H2,8,9).
What are the key properties of 2-butoxyethyl carbamate?
2-butoxyethyl carbamate has a molecular weight of 161.20 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethyl carbamate is sourced from PubChem (CID 27621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).