2-(oxan-2-yloxy)ethyl carbamate

C8H15NO4 — CID 22442425

IUPAC2-(oxan-2-yloxy)ethyl carbamate
SMILESNC(=O)OCCOC1CCCCO1
InChIInChI=1S/C8H15NO4/c9-8(10)13-6-5-12-7-3-1-2-4-11-7/h7H,1-6H2,(H2,9,10)
InChIKeyKKTWGSJSZSKEPB-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.62
Rot. Bonds4

About 2-(oxan-2-yloxy)ethyl carbamate

2-(oxan-2-yloxy)ethyl carbamate (PubChem CID 22442425) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-(oxan-2-yloxy)ethyl carbamate.

Molecular Properties

Compound Name2-(oxan-2-yloxy)ethyl carbamate
PubChem CID22442425
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name2-(oxan-2-yloxy)ethyl carbamate
SMILESNC(=O)OCCOC1CCCCO1
InChIInChI=1S/C8H15NO4/c9-8(10)13-6-5-12-7-3-1-2-4-11-7/h7H,1-6H2,(H2,9,10)
InChIKeyKKTWGSJSZSKEPB-UHFFFAOYSA-N
XLogP0.62
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethyl] 2,2-dimethylpropanedioate
CID 54155676
[4-(oxan-2-yloxymethyl)phenyl]methyl carbamate
CID 151097937
2-[4-(oxan-2-yloxy)butyl]propanediamide
CID 67822555
2-[2-[2-[3-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]-2,2-bis[2-[2-(oxan-2-yloxy)ethoxy]ethoxymethyl]propoxy]ethoxy]ethoxy]oxane
CID 11181986
2-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 124522873
2-[2-[2-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 119058274
14-(oxan-2-yloxy)tetradecanoic acid
CID 54500619
2,2-difluoro-4-(oxan-2-yloxy)butanoic acid
CID 115034304
2-(oxan-2-yloxy)ethyl propaneperoxoate
CID 91031112
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
13-[(2S)-oxan-2-yl]oxytridecan-2-one
CID 129363277
2-amino-6-(oxan-2-yloxy)hexanoic acid
CID 146471509

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yloxy)ethyl carbamate?
The IUPAC name of 2-(oxan-2-yloxy)ethyl carbamate (CID 22442425) is 2-(oxan-2-yloxy)ethyl carbamate.
What is the SMILES notation for 2-(oxan-2-yloxy)ethyl carbamate?
The canonical SMILES for 2-(oxan-2-yloxy)ethyl carbamate is NC(=O)OCCOC1CCCCO1.
What is the InChIKey of 2-(oxan-2-yloxy)ethyl carbamate?
The InChIKey is KKTWGSJSZSKEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c9-8(10)13-6-5-12-7-3-1-2-4-11-7/h7H,1-6H2,(H2,9,10).
What are the key properties of 2-(oxan-2-yloxy)ethyl carbamate?
2-(oxan-2-yloxy)ethyl carbamate has a molecular weight of 189.21 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yloxy)ethyl carbamate is sourced from PubChem (CID 22442425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).