prop-2-enoic acid;undecan-6-one

C14H26O3 — CID 122573755

IUPACprop-2-enoic acid;undecan-6-one
SMILESC=CC(=O)O.CCCCCC(=O)CCCCC
InChIInChI=1S/C11H22O.C3H4O2/c1-3-5-7-9-11(12)10-8-6-4-2;1-2-3(4)5/h3-10H2,1-2H3;2H,1H2,(H,4,5)
InChIKeyQMQAFEFAABTXKC-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.97
Rot. Bonds9

About prop-2-enoic acid;undecan-6-one

prop-2-enoic acid;undecan-6-one (PubChem CID 122573755) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is prop-2-enoic acid;undecan-6-one.

Molecular Properties

Compound Nameprop-2-enoic acid;undecan-6-one
PubChem CID122573755
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Nameprop-2-enoic acid;undecan-6-one
SMILESC=CC(=O)O.CCCCCC(=O)CCCCC
InChIInChI=1S/C11H22O.C3H4O2/c1-3-5-7-9-11(12)10-8-6-4-2;1-2-3(4)5/h3-10H2,1-2H3;2H,1H2,(H,4,5)
InChIKeyQMQAFEFAABTXKC-UHFFFAOYSA-N
XLogP3.97
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

heptadecane;prop-2-enoic acid
CID 158681422
icosane;nonadecane;bis(prop-2-enoic acid)
CID 173305512
octadecanoic acid;bis(prop-2-enoic acid);zinc
CID 173129108
ethene;tridecan-7-one
CID 159715360
pentacosane-7,19-dione
CID 139254510
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
nonadecan-7-one
CID 12913434
nonatriacontane-8,29-dione
CID 150237018
octacosan-8-one
CID 86052342
pentacosan-7-one
CID 54551687
pentadec-14-en-7-one
CID 11528685

Frequently Asked Questions

What is the IUPAC name of prop-2-enoic acid;undecan-6-one?
The IUPAC name of prop-2-enoic acid;undecan-6-one (CID 122573755) is prop-2-enoic acid;undecan-6-one.
What is the SMILES notation for prop-2-enoic acid;undecan-6-one?
The canonical SMILES for prop-2-enoic acid;undecan-6-one is C=CC(=O)O.CCCCCC(=O)CCCCC.
What is the InChIKey of prop-2-enoic acid;undecan-6-one?
The InChIKey is QMQAFEFAABTXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O.C3H4O2/c1-3-5-7-9-11(12)10-8-6-4-2;1-2-3(4)5/h3-10H2,1-2H3;2H,1H2,(H,4,5).
What are the key properties of prop-2-enoic acid;undecan-6-one?
prop-2-enoic acid;undecan-6-one has a molecular weight of 242.36 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoic acid;undecan-6-one is sourced from PubChem (CID 122573755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).