but-3-enyl undec-10-enoate

C15H26O2 — CID 11264915

IUPACbut-3-enyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OCCC=C
InChIInChI=1S/C15H26O2/c1-3-5-7-8-9-10-11-12-13-15(16)17-14-6-4-2/h3-4H,1-2,5-14H2
InChIKeyXDNHXTLKSSEDAH-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.41
Rot. Bonds12

About but-3-enyl undec-10-enoate

but-3-enyl undec-10-enoate (PubChem CID 11264915) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is but-3-enyl undec-10-enoate.

Molecular Properties

Compound Namebut-3-enyl undec-10-enoate
PubChem CID11264915
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Namebut-3-enyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OCCC=C
InChIInChI=1S/C15H26O2/c1-3-5-7-8-9-10-11-12-13-15(16)17-14-6-4-2/h3-4H,1-2,5-14H2
InChIKeyXDNHXTLKSSEDAH-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.41
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

CID 5363269
CID 5363269
CID 5354342
CID 5354342
CID 5367460
CID 5367460
CID 12729
CID 12729
CID 61027
CID 61027
CID 8138
CID 8138
CID 5365703
CID 5365703
CID 61412
CID 61412
CID 5355293
CID 5355293
CID 522255
CID 522255
CID 1778877
CID 1778877
CID 5869600
CID 5869600

Frequently Asked Questions

What is the IUPAC name of but-3-enyl undec-10-enoate?
The IUPAC name of but-3-enyl undec-10-enoate (CID 11264915) is but-3-enyl undec-10-enoate.
What is the SMILES notation for but-3-enyl undec-10-enoate?
The canonical SMILES for but-3-enyl undec-10-enoate is C=CCCCCCCCCC(=O)OCCC=C.
What is the InChIKey of but-3-enyl undec-10-enoate?
The InChIKey is XDNHXTLKSSEDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-3-5-7-8-9-10-11-12-13-15(16)17-14-6-4-2/h3-4H,1-2,5-14H2.
What are the key properties of but-3-enyl undec-10-enoate?
but-3-enyl undec-10-enoate has a molecular weight of 238.37 g/mol, XLogP of 4.41, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl undec-10-enoate is sourced from PubChem (CID 11264915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).