azane;4,4-dipropylheptyl undec-10-enoate

C24H49NO2 — CID 87220290

IUPACazane;4,4-dipropylheptyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OCCCC(CCC)(CCC)CCC.N
InChIInChI=1S/C24H46O2.H3N/c1-5-9-10-11-12-13-14-15-17-23(25)26-22-16-21-24(18-6-2,19-7-3)20-8-4;/h5H,1,6-22H2,2-4H3;1H3
InChIKeyIBOHNDIBWIFSDU-UHFFFAOYSA-N
MW383.66 g/mol
LogP8.17
Rot. Bonds19

About azane;4,4-dipropylheptyl undec-10-enoate

azane;4,4-dipropylheptyl undec-10-enoate (PubChem CID 87220290) has the molecular formula C24H49NO2 and a molecular weight of 383.66 g/mol. Its IUPAC name is azane;4,4-dipropylheptyl undec-10-enoate.

Molecular Properties

Compound Nameazane;4,4-dipropylheptyl undec-10-enoate
PubChem CID87220290
Molecular FormulaC24H49NO2
Molecular Weight383.66 g/mol
Exact Mass383.38
IUPAC Nameazane;4,4-dipropylheptyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OCCCC(CCC)(CCC)CCC.N
InChIInChI=1S/C24H46O2.H3N/c1-5-9-10-11-12-13-14-15-17-23(25)26-22-16-21-24(18-6-2,19-7-3)20-8-4;/h5H,1,6-22H2,2-4H3;1H3
InChIKeyIBOHNDIBWIFSDU-UHFFFAOYSA-N
XLogP8.17
TPSA61.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.66
LogP ≤ 58.17
H-Bond Donors ≤ 51
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 azane;4,4-dipropylheptyl undec-10-enoate?
The IUPAC name of azane;4,4-dipropylheptyl undec-10-enoate (CID 87220290) is azane;4,4-dipropylheptyl undec-10-enoate.
What is the SMILES notation for azane;4,4-dipropylheptyl undec-10-enoate?
The canonical SMILES for azane;4,4-dipropylheptyl undec-10-enoate is C=CCCCCCCCCC(=O)OCCCC(CCC)(CCC)CCC.N.
What is the InChIKey of azane;4,4-dipropylheptyl undec-10-enoate?
The InChIKey is IBOHNDIBWIFSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O2.H3N/c1-5-9-10-11-12-13-14-15-17-23(25)26-22-16-21-24(18-6-2,19-7-3)20-8-4;/h5H,1,6-22H2,2-4H3;1H3.
What are the key properties of azane;4,4-dipropylheptyl undec-10-enoate?
azane;4,4-dipropylheptyl undec-10-enoate has a molecular weight of 383.66 g/mol, XLogP of 8.17, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4,4-dipropylheptyl undec-10-enoate is sourced from PubChem (CID 87220290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).