but-3-en-2-yl undec-10-enoate

C15H26O2 — CID 141164752

IUPACbut-3-en-2-yl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OC(C)C=C
InChIInChI=1S/C15H26O2/c1-4-6-7-8-9-10-11-12-13-15(16)17-14(3)5-2/h4-5,14H,1-2,6-13H2,3H3
InChIKeySAJLINCSQHEBDM-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.41
Rot. Bonds11

About but-3-en-2-yl undec-10-enoate

but-3-en-2-yl undec-10-enoate (PubChem CID 141164752) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is but-3-en-2-yl undec-10-enoate.

Molecular Properties

Compound Namebut-3-en-2-yl undec-10-enoate
PubChem CID141164752
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Namebut-3-en-2-yl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OC(C)C=C
InChIInChI=1S/C15H26O2/c1-4-6-7-8-9-10-11-12-13-15(16)17-14(3)5-2/h4-5,14H,1-2,6-13H2,3H3
InChIKeySAJLINCSQHEBDM-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
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

dec-9-eneperoxoic acid
CID 177164421
2-methylhex-5-enyl undec-10-enoate
CID 11150207
dec-9-en-3-yl nonanoate
CID 173316270
2-dec-9-enoyloxyethyl dec-9-enoate
CID 153465043
sulfanyl undec-10-enoate
CID 87067735
dimethyl octadec-9-enedioate;methyl dec-9-enoate
CID 159471002
(3-hydroxy-2-undec-10-enoyloxypropyl) undec-10-enoate
CID 13365715
ethyl hept-6-enoate
CID 560341
silyl hept-6-enoate
CID 154077289
azane;2-methoxyethyl undec-10-enoate
CID 174560084
1-O-(2-methylpropyl) 10-O-pent-4-en-2-yl decanedioate
CID 91729142
but-3-enyl hept-6-enoate
CID 86101121

Frequently Asked Questions

What is the IUPAC name of but-3-en-2-yl undec-10-enoate?
The IUPAC name of but-3-en-2-yl undec-10-enoate (CID 141164752) is but-3-en-2-yl undec-10-enoate.
What is the SMILES notation for but-3-en-2-yl undec-10-enoate?
The canonical SMILES for but-3-en-2-yl undec-10-enoate is C=CCCCCCCCCC(=O)OC(C)C=C.
What is the InChIKey of but-3-en-2-yl undec-10-enoate?
The InChIKey is SAJLINCSQHEBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-4-6-7-8-9-10-11-12-13-15(16)17-14(3)5-2/h4-5,14H,1-2,6-13H2,3H3.
What are the key properties of but-3-en-2-yl undec-10-enoate?
but-3-en-2-yl undec-10-enoate has a molecular weight of 238.37 g/mol, XLogP of 4.41, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-2-yl undec-10-enoate is sourced from PubChem (CID 141164752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).