deca-1,9-dien-3-one

C10H16O — CID 21443589

IUPACdeca-1,9-dien-3-one
SMILESC=CCCCCCC(=O)C=C
InChIInChI=1S/C10H16O/c1-3-5-6-7-8-9-10(11)4-2/h3-4H,1-2,5-9H2
InChIKeyUPMWWXQYKWTGMN-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.88
Rot. Bonds7

About deca-1,9-dien-3-one

deca-1,9-dien-3-one (PubChem CID 21443589) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is deca-1,9-dien-3-one.

Molecular Properties

Compound Namedeca-1,9-dien-3-one
PubChem CID21443589
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Namedeca-1,9-dien-3-one
SMILESC=CCCCCCC(=O)C=C
InChIInChI=1S/C10H16O/c1-3-5-6-7-8-9-10(11)4-2/h3-4H,1-2,5-9H2
InChIKeyUPMWWXQYKWTGMN-UHFFFAOYSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.88
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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tricosa-1,22-dien-12-one
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nonadec-18-enoic acid
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hept-6-enoic acid;undec-10-enoic acid
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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 deca-1,9-dien-3-one?
The IUPAC name of deca-1,9-dien-3-one (CID 21443589) is deca-1,9-dien-3-one.
What is the SMILES notation for deca-1,9-dien-3-one?
The canonical SMILES for deca-1,9-dien-3-one is C=CCCCCCC(=O)C=C.
What is the InChIKey of deca-1,9-dien-3-one?
The InChIKey is UPMWWXQYKWTGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-3-5-6-7-8-9-10(11)4-2/h3-4H,1-2,5-9H2.
What are the key properties of deca-1,9-dien-3-one?
deca-1,9-dien-3-one has a molecular weight of 152.24 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for deca-1,9-dien-3-one is sourced from PubChem (CID 21443589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).