propan-2-yl 9-oxoundec-10-enoate

C14H24O3 — CID 58298922

IUPACpropan-2-yl 9-oxoundec-10-enoate
SMILESC=CC(=O)CCCCCCCC(=O)OC(C)C
InChIInChI=1S/C14H24O3/c1-4-13(15)10-8-6-5-7-9-11-14(16)17-12(2)3/h4,12H,1,5-11H2,2-3H3
InChIKeyKMFTWUJSHOMZOS-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.42
Rot. Bonds10

About propan-2-yl 9-oxoundec-10-enoate

propan-2-yl 9-oxoundec-10-enoate (PubChem CID 58298922) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is propan-2-yl 9-oxoundec-10-enoate.

Molecular Properties

Compound Namepropan-2-yl 9-oxoundec-10-enoate
PubChem CID58298922
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Namepropan-2-yl 9-oxoundec-10-enoate
SMILESC=CC(=O)CCCCCCCC(=O)OC(C)C
InChIInChI=1S/C14H24O3/c1-4-13(15)10-8-6-5-7-9-11-14(16)17-12(2)3/h4,12H,1,5-11H2,2-3H3
InChIKeyKMFTWUJSHOMZOS-UHFFFAOYSA-N
XLogP3.42
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Ethyl 10-undecenoate
CID 12729
Butyl 10-undecenoate
CID 61027
Ethyl 9-decenoate
CID 522255
Isopropyl undecylenate
CID 79578
Ethyl 7-octenoate
CID 544127
2(3H)-Furanone, 5-(6-hepten-1-yl)dihydro-
CID 86055585
Butyl dec-9-enoate
CID 17825102
Propyl undec-10-enoate
CID 548339
Patulolide A
CID 6438683
Patulolide B
CID 6444101
(E)-ethyl 8-oxohexadec-9-enoate
CID 10266599
(E)-ethyl 8-oxooctadec-9-enoate
CID 11088644

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 9-oxoundec-10-enoate?
The IUPAC name of propan-2-yl 9-oxoundec-10-enoate (CID 58298922) is propan-2-yl 9-oxoundec-10-enoate.
What is the SMILES notation for propan-2-yl 9-oxoundec-10-enoate?
The canonical SMILES for propan-2-yl 9-oxoundec-10-enoate is C=CC(=O)CCCCCCCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 9-oxoundec-10-enoate?
The InChIKey is KMFTWUJSHOMZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-4-13(15)10-8-6-5-7-9-11-14(16)17-12(2)3/h4,12H,1,5-11H2,2-3H3.
What are the key properties of propan-2-yl 9-oxoundec-10-enoate?
propan-2-yl 9-oxoundec-10-enoate has a molecular weight of 240.34 g/mol, XLogP of 3.42, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 9-oxoundec-10-enoate is sourced from PubChem (CID 58298922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).