deca-1,2-dien-4-one

C10H16O — CID 20547170

IUPACdeca-1,2-dien-4-one
SMILESC=C=CC(=O)CCCCCC
InChIInChI=1S/C10H16O/c1-3-5-6-7-9-10(11)8-4-2/h8H,2-3,5-7,9H2,1H3
InChIKeyDDOBQARXANYMNI-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.87
Rot. Bonds6

About deca-1,2-dien-4-one

deca-1,2-dien-4-one (PubChem CID 20547170) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is deca-1,2-dien-4-one.

Molecular Properties

Compound Namedeca-1,2-dien-4-one
PubChem CID20547170
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Namedeca-1,2-dien-4-one
SMILESC=C=CC(=O)CCCCCC
InChIInChI=1S/C10H16O/c1-3-5-6-7-9-10(11)8-4-2/h8H,2-3,5-7,9H2,1H3
InChIKeyDDOBQARXANYMNI-UHFFFAOYSA-N
XLogP2.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1-Octen-3-one
CID 61346
12-Tridecen-2-one
CID 10888854
9-Decen-2-one
CID 118782
8-Nonen-2-one
CID 21108
10-Undecen-2-one
CID 118928
2-Pentyl-1-buten-3-one
CID 62218
Non-1-en-3-one
CID 181106
1-Decen-3-one
CID 171530
1-Nonen-4-one
CID 6428774
1-Undecen-3-one
CID 162529
8Z-Pentadecen-2-one
CID 12811248
2-Nonanone, 3-methylene-
CID 3017847

Frequently Asked Questions

What is the IUPAC name of deca-1,2-dien-4-one?
The IUPAC name of deca-1,2-dien-4-one (CID 20547170) is deca-1,2-dien-4-one.
What is the SMILES notation for deca-1,2-dien-4-one?
The canonical SMILES for deca-1,2-dien-4-one is C=C=CC(=O)CCCCCC.
What is the InChIKey of deca-1,2-dien-4-one?
The InChIKey is DDOBQARXANYMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-3-5-6-7-9-10(11)8-4-2/h8H,2-3,5-7,9H2,1H3.
What are the key properties of deca-1,2-dien-4-one?
deca-1,2-dien-4-one has a molecular weight of 152.24 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for deca-1,2-dien-4-one is sourced from PubChem (CID 20547170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).