hex-5-enyl N,N-diethylcarbamate

C11H21NO2 — CID 45103409

IUPAChex-5-enyl N,N-diethylcarbamate
SMILESC=CCCCCOC(=O)N(CC)CC
InChIInChI=1S/C11H21NO2/c1-4-7-8-9-10-14-11(13)12(5-2)6-3/h4H,1,5-10H2,2-3H3
InChIKeyKFFMZRRWKGITRD-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.82
Rot. Bonds7

About hex-5-enyl N,N-diethylcarbamate

hex-5-enyl N,N-diethylcarbamate (PubChem CID 45103409) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is hex-5-enyl N,N-diethylcarbamate.

Molecular Properties

Compound Namehex-5-enyl N,N-diethylcarbamate
PubChem CID45103409
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namehex-5-enyl N,N-diethylcarbamate
SMILESC=CCCCCOC(=O)N(CC)CC
InChIInChI=1S/C11H21NO2/c1-4-7-8-9-10-14-11(13)12(5-2)6-3/h4H,1,5-10H2,2-3H3
InChIKeyKFFMZRRWKGITRD-UHFFFAOYSA-N
XLogP2.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hex-5-enyl N,N-diethylcarbamate?
The IUPAC name of hex-5-enyl N,N-diethylcarbamate (CID 45103409) is hex-5-enyl N,N-diethylcarbamate.
What is the SMILES notation for hex-5-enyl N,N-diethylcarbamate?
The canonical SMILES for hex-5-enyl N,N-diethylcarbamate is C=CCCCCOC(=O)N(CC)CC.
What is the InChIKey of hex-5-enyl N,N-diethylcarbamate?
The InChIKey is KFFMZRRWKGITRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-7-8-9-10-14-11(13)12(5-2)6-3/h4H,1,5-10H2,2-3H3.
What are the key properties of hex-5-enyl N,N-diethylcarbamate?
hex-5-enyl N,N-diethylcarbamate has a molecular weight of 199.29 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hex-5-enyl N,N-diethylcarbamate is sourced from PubChem (CID 45103409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).