undeca-1,10-dien-3-one

C11H18O — CID 152625957

IUPACundeca-1,10-dien-3-one
SMILESC=CCCCCCCC(=O)C=C
InChIInChI=1S/C11H18O/c1-3-5-6-7-8-9-10-11(12)4-2/h3-4H,1-2,5-10H2
InChIKeyZCNDBDLXNPQNAH-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.27
Rot. Bonds8

About undeca-1,10-dien-3-one

undeca-1,10-dien-3-one (PubChem CID 152625957) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is undeca-1,10-dien-3-one.

Molecular Properties

Compound Nameundeca-1,10-dien-3-one
PubChem CID152625957
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Nameundeca-1,10-dien-3-one
SMILESC=CCCCCCCC(=O)C=C
InChIInChI=1S/C11H18O/c1-3-5-6-7-8-9-10-11(12)4-2/h3-4H,1-2,5-10H2
InChIKeyZCNDBDLXNPQNAH-UHFFFAOYSA-N
XLogP3.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 21443589
tricosa-1,22-dien-12-one
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tritriacont-32-enoic acid
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octadec-17-enoic acid
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nonadec-18-enoic acid
CID 543857
hept-6-enoic acid;undec-10-enoic acid
CID 87675195
CID 164568303
CID 164568303
pentadec-14-enoyl bromide
CID 155164033
dodec-11-enethioate
CID 22121594
nonadec-1-en-3-one
CID 3326465

Frequently Asked Questions

What is the IUPAC name of undeca-1,10-dien-3-one?
The IUPAC name of undeca-1,10-dien-3-one (CID 152625957) is undeca-1,10-dien-3-one.
What is the SMILES notation for undeca-1,10-dien-3-one?
The canonical SMILES for undeca-1,10-dien-3-one is C=CCCCCCCC(=O)C=C.
What is the InChIKey of undeca-1,10-dien-3-one?
The InChIKey is ZCNDBDLXNPQNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-3-5-6-7-8-9-10-11(12)4-2/h3-4H,1-2,5-10H2.
What are the key properties of undeca-1,10-dien-3-one?
undeca-1,10-dien-3-one has a molecular weight of 166.26 g/mol, XLogP of 3.27, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for undeca-1,10-dien-3-one is sourced from PubChem (CID 152625957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).