undec-10-enyl hex-5-enoate

C17H30O2 — CID 10563721

IUPACundec-10-enyl hex-5-enoate
SMILESC=CCCCCCCCCCOC(=O)CCCC=C
InChIInChI=1S/C17H30O2/c1-3-5-7-8-9-10-11-12-14-16-19-17(18)15-13-6-4-2/h3-4H,1-2,5-16H2
InChIKeyHKZPYKCBOMDSTR-UHFFFAOYSA-N
MW266.42 g/mol
LogP5.19
Rot. Bonds14

About undec-10-enyl hex-5-enoate

undec-10-enyl hex-5-enoate (PubChem CID 10563721) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is undec-10-enyl hex-5-enoate.

Molecular Properties

Compound Nameundec-10-enyl hex-5-enoate
PubChem CID10563721
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Nameundec-10-enyl hex-5-enoate
SMILESC=CCCCCCCCCCOC(=O)CCCC=C
InChIInChI=1S/C17H30O2/c1-3-5-7-8-9-10-11-12-14-16-19-17(18)15-13-6-4-2/h3-4H,1-2,5-16H2
InChIKeyHKZPYKCBOMDSTR-UHFFFAOYSA-N
XLogP5.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.42
LogP ≤ 55.19
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 undec-10-enyl hex-5-enoate?
The IUPAC name of undec-10-enyl hex-5-enoate (CID 10563721) is undec-10-enyl hex-5-enoate.
What is the SMILES notation for undec-10-enyl hex-5-enoate?
The canonical SMILES for undec-10-enyl hex-5-enoate is C=CCCCCCCCCCOC(=O)CCCC=C.
What is the InChIKey of undec-10-enyl hex-5-enoate?
The InChIKey is HKZPYKCBOMDSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-3-5-7-8-9-10-11-12-14-16-19-17(18)15-13-6-4-2/h3-4H,1-2,5-16H2.
What are the key properties of undec-10-enyl hex-5-enoate?
undec-10-enyl hex-5-enoate has a molecular weight of 266.42 g/mol, XLogP of 5.19, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undec-10-enyl hex-5-enoate is sourced from PubChem (CID 10563721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).