tert-butyl N-[(Z)-8-methyldec-8-enyl]-N-[(Z)-oct-5-enoyl]carbamate

C24H43NO3 — CID 163319795

IUPACtert-butyl N-[(Z)-8-methyldec-8-enyl]-N-[(Z)-oct-5-enoyl]carbamate
SMILESC/C=C(/C)CCCCCCCN(C(=O)CCC/C=C\CC)C(=O)OC(C)(C)C
InChIInChI=1S/C24H43NO3/c1-7-9-10-12-16-19-22(26)25(23(27)28-24(4,5)6)20-17-14-11-13-15-18-21(3)8-2/h8-10H,7,11-20H2,1-6H3/b10-9-,21-8-
InChIKeyZPXIUQWVMDAGKL-WHFVVSLJSA-N
MW393.61 g/mol
LogP7.19
Rot. Bonds13

About tert-butyl N-[(Z)-8-methyldec-8-enyl]-N-[(Z)-oct-5-enoyl]carbamate

tert-butyl N-[(Z)-8-methyldec-8-enyl]-N-[(Z)-oct-5-enoyl]carbamate (PubChem CID 163319795) has the molecular formula C24H43NO3 and a molecular weight of 393.61 g/mol. Its IUPAC name is tert-butyl N-[(Z)-8-methyldec-8-enyl]-N-[(Z)-oct-5-enoyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-8-methyldec-8-enyl]-N-[(Z)-oct-5-enoyl]carbamate
PubChem CID163319795
Molecular FormulaC24H43NO3
Molecular Weight393.61 g/mol
Exact Mass393.32
IUPAC Nametert-butyl N-[(Z)-8-methyldec-8-enyl]-N-[(Z)-oct-5-enoyl]carbamate
SMILESC/C=C(/C)CCCCCCCN(C(=O)CCC/C=C\CC)C(=O)OC(C)(C)C
InChIInChI=1S/C24H43NO3/c1-7-9-10-12-16-19-22(26)25(23(27)28-24(4,5)6)20-17-14-11-13-15-18-21(3)8-2/h8-10H,7,11-20H2,1-6H3/b10-9-,21-8-
InChIKeyZPXIUQWVMDAGKL-WHFVVSLJSA-N
XLogP7.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.61
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 tert-butyl N-[(Z)-8-methyldec-8-enyl]-N-[(Z)-oct-5-enoyl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-8-methyldec-8-enyl]-N-[(Z)-oct-5-enoyl]carbamate (CID 163319795) is tert-butyl N-[(Z)-8-methyldec-8-enyl]-N-[(Z)-oct-5-enoyl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-8-methyldec-8-enyl]-N-[(Z)-oct-5-enoyl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-8-methyldec-8-enyl]-N-[(Z)-oct-5-enoyl]carbamate is C/C=C(/C)CCCCCCCN(C(=O)CCC/C=C\CC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(Z)-8-methyldec-8-enyl]-N-[(Z)-oct-5-enoyl]carbamate?
The InChIKey is ZPXIUQWVMDAGKL-WHFVVSLJSA-N. The full InChI is InChI=1S/C24H43NO3/c1-7-9-10-12-16-19-22(26)25(23(27)28-24(4,5)6)20-17-14-11-13-15-18-21(3)8-2/h8-10H,7,11-20H2,1-6H3/b10-9-,21-8-.
What are the key properties of tert-butyl N-[(Z)-8-methyldec-8-enyl]-N-[(Z)-oct-5-enoyl]carbamate?
tert-butyl N-[(Z)-8-methyldec-8-enyl]-N-[(Z)-oct-5-enoyl]carbamate has a molecular weight of 393.61 g/mol, XLogP of 7.19, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-8-methyldec-8-enyl]-N-[(Z)-oct-5-enoyl]carbamate is sourced from PubChem (CID 163319795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).