dec-3-en-1-yn-5-one

C10H14O — CID 71365227

IUPACdec-3-en-1-yn-5-one
SMILESC#CC=CC(=O)CCCCC
InChIInChI=1S/C10H14O/c1-3-5-7-9-10(11)8-6-4-2/h2,6,8H,3,5,7,9H2,1H3
InChIKeyODTJIXHXHWIXTP-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.33
Rot. Bonds5

About dec-3-en-1-yn-5-one

dec-3-en-1-yn-5-one (PubChem CID 71365227) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is dec-3-en-1-yn-5-one.

Molecular Properties

Compound Namedec-3-en-1-yn-5-one
PubChem CID71365227
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Namedec-3-en-1-yn-5-one
SMILESC#CC=CC(=O)CCCCC
InChIInChI=1S/C10H14O/c1-3-5-7-9-10(11)8-6-4-2/h2,6,8H,3,5,7,9H2,1H3
InChIKeyODTJIXHXHWIXTP-UHFFFAOYSA-N
XLogP2.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.33
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(7E,9E)-henicosa-7,9-diene-6,11-dione
CID 56936226
(E)-1-bromooct-1-en-3-one
CID 11790338
tridec-2-en-4-one
CID 3025768
(E)-undec-2-en-4-one
CID 11550066
undec-2-en-4-one
CID 54475106
(2E,4E)-6-oxoundeca-2,4-dienenitrile
CID 11062951
(E)-tridec-3-ene-2,5-dione
CID 12564114
(E)-1-bromonon-1-en-3-one
CID 10987757
(E)-1-chloronon-1-en-3-one
CID 12585287
nonadec-1-en-3-one
CID 3326465
tritriacont-1-en-3-one
CID 153436316
(E)-icos-11-en-10-one
CID 101359358

Frequently Asked Questions

What is the IUPAC name of dec-3-en-1-yn-5-one?
The IUPAC name of dec-3-en-1-yn-5-one (CID 71365227) is dec-3-en-1-yn-5-one.
What is the SMILES notation for dec-3-en-1-yn-5-one?
The canonical SMILES for dec-3-en-1-yn-5-one is C#CC=CC(=O)CCCCC.
What is the InChIKey of dec-3-en-1-yn-5-one?
The InChIKey is ODTJIXHXHWIXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-3-5-7-9-10(11)8-6-4-2/h2,6,8H,3,5,7,9H2,1H3.
What are the key properties of dec-3-en-1-yn-5-one?
dec-3-en-1-yn-5-one has a molecular weight of 150.22 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dec-3-en-1-yn-5-one is sourced from PubChem (CID 71365227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).