ethyl 2-ethyldodec-11-enoate

C16H30O2 — CID 134916533

IUPACethyl 2-ethyldodec-11-enoate
SMILESC=CCCCCCCCCC(CC)C(=O)OCC
InChIInChI=1S/C16H30O2/c1-4-7-8-9-10-11-12-13-14-15(5-2)16(17)18-6-3/h4,15H,1,5-14H2,2-3H3
InChIKeyUKSNOQREWMLNHO-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.88
Rot. Bonds12

About ethyl 2-ethyldodec-11-enoate

ethyl 2-ethyldodec-11-enoate (PubChem CID 134916533) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is ethyl 2-ethyldodec-11-enoate.

Molecular Properties

Compound Nameethyl 2-ethyldodec-11-enoate
PubChem CID134916533
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Nameethyl 2-ethyldodec-11-enoate
SMILESC=CCCCCCCCCC(CC)C(=O)OCC
InChIInChI=1S/C16H30O2/c1-4-7-8-9-10-11-12-13-14-15(5-2)16(17)18-6-3/h4,15H,1,5-14H2,2-3H3
InChIKeyUKSNOQREWMLNHO-UHFFFAOYSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.88
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 propionate
CID 25113548
Rhodinyl butyrate, (+-)-
CID 61093
Rescalure
CID 10934002
Heptyl Undecylenate
CID 109641

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyldodec-11-enoate?
The IUPAC name of ethyl 2-ethyldodec-11-enoate (CID 134916533) is ethyl 2-ethyldodec-11-enoate.
What is the SMILES notation for ethyl 2-ethyldodec-11-enoate?
The canonical SMILES for ethyl 2-ethyldodec-11-enoate is C=CCCCCCCCCC(CC)C(=O)OCC.
What is the InChIKey of ethyl 2-ethyldodec-11-enoate?
The InChIKey is UKSNOQREWMLNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-4-7-8-9-10-11-12-13-14-15(5-2)16(17)18-6-3/h4,15H,1,5-14H2,2-3H3.
What are the key properties of ethyl 2-ethyldodec-11-enoate?
ethyl 2-ethyldodec-11-enoate has a molecular weight of 254.41 g/mol, XLogP of 4.88, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyldodec-11-enoate is sourced from PubChem (CID 134916533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).