2-dec-9-enoyloxyethyl dec-9-enoate

C22H38O4 — CID 153465043

IUPAC2-dec-9-enoyloxyethyl dec-9-enoate
SMILESC=CCCCCCCCC(=O)OCCOC(=O)CCCCCCCC=C
InChIInChI=1S/C22H38O4/c1-3-5-7-9-11-13-15-17-21(23)25-19-20-26-22(24)18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-20H2
InChIKeyREKBOOLZTFHCTA-UHFFFAOYSA-N
MW366.54 g/mol
LogP5.91
Rot. Bonds19

About 2-dec-9-enoyloxyethyl dec-9-enoate

2-dec-9-enoyloxyethyl dec-9-enoate (PubChem CID 153465043) has the molecular formula C22H38O4 and a molecular weight of 366.54 g/mol. Its IUPAC name is 2-dec-9-enoyloxyethyl dec-9-enoate.

Molecular Properties

Compound Name2-dec-9-enoyloxyethyl dec-9-enoate
PubChem CID153465043
Molecular FormulaC22H38O4
Molecular Weight366.54 g/mol
Exact Mass366.28
IUPAC Name2-dec-9-enoyloxyethyl dec-9-enoate
SMILESC=CCCCCCCCC(=O)OCCOC(=O)CCCCCCCC=C
InChIInChI=1S/C22H38O4/c1-3-5-7-9-11-13-15-17-21(23)25-19-20-26-22(24)18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-20H2
InChIKeyREKBOOLZTFHCTA-UHFFFAOYSA-N
XLogP5.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.54
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

but-3-enyl hept-6-enoate
CID 86101121
bis(pent-4-enyl) decanedioate
CID 91694638
azane;2-methoxyethyl undec-10-enoate
CID 174560084
2-hydroxyethyl dec-9-enoate
CID 87084822
undec-10-enyl 7-undec-10-enoxyheptanoate
CID 140771622
2-[bis(2-dec-9-enoyloxyethyl)amino]ethyl dec-9-enoate
CID 140814246
hept-6-enyl nonanoate
CID 146588194
heptyl hept-6-enoate
CID 129220829
hex-5-enyl decanoate
CID 166881880
hexyl oct-7-enoate
CID 91748282
hept-6-enyl hexacosanoate
CID 102118795
ethane;hexyl dec-9-enoate
CID 142461660

Frequently Asked Questions

What is the IUPAC name of 2-dec-9-enoyloxyethyl dec-9-enoate?
The IUPAC name of 2-dec-9-enoyloxyethyl dec-9-enoate (CID 153465043) is 2-dec-9-enoyloxyethyl dec-9-enoate.
What is the SMILES notation for 2-dec-9-enoyloxyethyl dec-9-enoate?
The canonical SMILES for 2-dec-9-enoyloxyethyl dec-9-enoate is C=CCCCCCCCC(=O)OCCOC(=O)CCCCCCCC=C.
What is the InChIKey of 2-dec-9-enoyloxyethyl dec-9-enoate?
The InChIKey is REKBOOLZTFHCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O4/c1-3-5-7-9-11-13-15-17-21(23)25-19-20-26-22(24)18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-20H2.
What are the key properties of 2-dec-9-enoyloxyethyl dec-9-enoate?
2-dec-9-enoyloxyethyl dec-9-enoate has a molecular weight of 366.54 g/mol, XLogP of 5.91, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dec-9-enoyloxyethyl dec-9-enoate is sourced from PubChem (CID 153465043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).