butyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate

C14H25NO2 — CID 58895200

IUPACbutyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate
SMILESCC/C=C\CC/C=C/CNC(=O)OCCCC
InChIInChI=1S/C14H25NO2/c1-3-5-7-8-9-10-11-12-15-14(16)17-13-6-4-2/h5,7,10-11H,3-4,6,8-9,12-13H2,1-2H3,(H,15,16)/b7-5-,11-10+
InChIKeyLGETZDHPIAGPIY-OLCNXZRBSA-N
MW239.36 g/mol
LogP3.82
Rot. Bonds9

About butyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate

butyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate (PubChem CID 58895200) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is butyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate.

Molecular Properties

Compound Namebutyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate
PubChem CID58895200
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Namebutyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate
SMILESCC/C=C\CC/C=C/CNC(=O)OCCCC
InChIInChI=1S/C14H25NO2/c1-3-5-7-8-9-10-11-12-15-14(16)17-13-6-4-2/h5,7,10-11H,3-4,6,8-9,12-13H2,1-2H3,(H,15,16)/b7-5-,11-10+
InChIKeyLGETZDHPIAGPIY-OLCNXZRBSA-N
XLogP3.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.82
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 butyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate?
The IUPAC name of butyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate (CID 58895200) is butyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate.
What is the SMILES notation for butyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate?
The canonical SMILES for butyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate is CC/C=C\CC/C=C/CNC(=O)OCCCC.
What is the InChIKey of butyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate?
The InChIKey is LGETZDHPIAGPIY-OLCNXZRBSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-5-7-8-9-10-11-12-15-14(16)17-13-6-4-2/h5,7,10-11H,3-4,6,8-9,12-13H2,1-2H3,(H,15,16)/b7-5-,11-10+.
What are the key properties of butyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate?
butyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate has a molecular weight of 239.36 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate is sourced from PubChem (CID 58895200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).