ethyl 2-dec-9-enyldodec-11-enoate

C24H44O2 — CID 102509341

IUPACethyl 2-dec-9-enyldodec-11-enoate
SMILESC=CCCCCCCCCC(CCCCCCCCC=C)C(=O)OCC
InChIInChI=1S/C24H44O2/c1-4-7-9-11-13-15-17-19-21-23(24(25)26-6-3)22-20-18-16-14-12-10-8-5-2/h4-5,23H,1-2,6-22H2,3H3
InChIKeyWXOWVSMSYRLVLP-UHFFFAOYSA-N
MW364.61 g/mol
LogP7.78
Rot. Bonds20

About ethyl 2-dec-9-enyldodec-11-enoate

ethyl 2-dec-9-enyldodec-11-enoate (PubChem CID 102509341) has the molecular formula C24H44O2 and a molecular weight of 364.61 g/mol. Its IUPAC name is ethyl 2-dec-9-enyldodec-11-enoate.

Molecular Properties

Compound Nameethyl 2-dec-9-enyldodec-11-enoate
PubChem CID102509341
Molecular FormulaC24H44O2
Molecular Weight364.61 g/mol
Exact Mass364.33
IUPAC Nameethyl 2-dec-9-enyldodec-11-enoate
SMILESC=CCCCCCCCCC(CCCCCCCCC=C)C(=O)OCC
InChIInChI=1S/C24H44O2/c1-4-7-9-11-13-15-17-19-21-23(24(25)26-6-3)22-20-18-16-14-12-10-8-5-2/h4-5,23H,1-2,6-22H2,3H3
InChIKeyWXOWVSMSYRLVLP-UHFFFAOYSA-N
XLogP7.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.61
LogP ≤ 57.78
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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Related Compounds

Ethyl 10-undecenoate
CID 12729
Butyl 10-undecenoate
CID 61027
Ethyl 9-decenoate
CID 522255
Citronellyl dodecanoate
CID 21263168
Citronellyl decanoate
CID 57353225
Chaulmoogric acid ethyl ester
CID 23615635
Isobutyl 10-undecenoate
CID 79457
9-Octadecenoic acid (9Z)-, 2-methylpropyl ester
CID 6436361
Rhodinyl butyrate, (+-)-
CID 61093
Rescalure
CID 10934002
Heptyl Undecylenate
CID 109641
Hexyldecyl Oleate
CID 6433037

Frequently Asked Questions

What is the IUPAC name of ethyl 2-dec-9-enyldodec-11-enoate?
The IUPAC name of ethyl 2-dec-9-enyldodec-11-enoate (CID 102509341) is ethyl 2-dec-9-enyldodec-11-enoate.
What is the SMILES notation for ethyl 2-dec-9-enyldodec-11-enoate?
The canonical SMILES for ethyl 2-dec-9-enyldodec-11-enoate is C=CCCCCCCCCC(CCCCCCCCC=C)C(=O)OCC.
What is the InChIKey of ethyl 2-dec-9-enyldodec-11-enoate?
The InChIKey is WXOWVSMSYRLVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O2/c1-4-7-9-11-13-15-17-19-21-23(24(25)26-6-3)22-20-18-16-14-12-10-8-5-2/h4-5,23H,1-2,6-22H2,3H3.
What are the key properties of ethyl 2-dec-9-enyldodec-11-enoate?
ethyl 2-dec-9-enyldodec-11-enoate has a molecular weight of 364.61 g/mol, XLogP of 7.78, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-dec-9-enyldodec-11-enoate is sourced from PubChem (CID 102509341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).