undec-10-enyl N-octylcarbamate

C20H39NO2 — CID 23466691

IUPACundec-10-enyl N-octylcarbamate
SMILESC=CCCCCCCCCCOC(=O)NCCCCCCCC
InChIInChI=1S/C20H39NO2/c1-3-5-7-9-11-12-13-15-17-19-23-20(22)21-18-16-14-10-8-6-4-2/h3H,1,4-19H2,2H3,(H,21,22)
InChIKeyBDMWRVGSGJXRMZ-UHFFFAOYSA-N
MW325.54 g/mol
LogP6.38
Rot. Bonds17

About undec-10-enyl N-octylcarbamate

undec-10-enyl N-octylcarbamate (PubChem CID 23466691) has the molecular formula C20H39NO2 and a molecular weight of 325.54 g/mol. Its IUPAC name is undec-10-enyl N-octylcarbamate.

Molecular Properties

Compound Nameundec-10-enyl N-octylcarbamate
PubChem CID23466691
Molecular FormulaC20H39NO2
Molecular Weight325.54 g/mol
Exact Mass325.30
IUPAC Nameundec-10-enyl N-octylcarbamate
SMILESC=CCCCCCCCCCOC(=O)NCCCCCCCC
InChIInChI=1S/C20H39NO2/c1-3-5-7-9-11-12-13-15-17-19-23-20(22)21-18-16-14-10-8-6-4-2/h3H,1,4-19H2,2H3,(H,21,22)
InChIKeyBDMWRVGSGJXRMZ-UHFFFAOYSA-N
XLogP6.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 56.38
H-Bond Donors ≤ 51
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 undec-10-enyl N-octylcarbamate?
The IUPAC name of undec-10-enyl N-octylcarbamate (CID 23466691) is undec-10-enyl N-octylcarbamate.
What is the SMILES notation for undec-10-enyl N-octylcarbamate?
The canonical SMILES for undec-10-enyl N-octylcarbamate is C=CCCCCCCCCCOC(=O)NCCCCCCCC.
What is the InChIKey of undec-10-enyl N-octylcarbamate?
The InChIKey is BDMWRVGSGJXRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO2/c1-3-5-7-9-11-12-13-15-17-19-23-20(22)21-18-16-14-10-8-6-4-2/h3H,1,4-19H2,2H3,(H,21,22).
What are the key properties of undec-10-enyl N-octylcarbamate?
undec-10-enyl N-octylcarbamate has a molecular weight of 325.54 g/mol, XLogP of 6.38, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undec-10-enyl N-octylcarbamate is sourced from PubChem (CID 23466691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).