deca-2,6-dien-4-ynal

C10H12O — CID 162929085

IUPACdeca-2,6-dien-4-ynal
SMILESCCCC=CC#CC=CC=O
InChIInChI=1S/C10H12O/c1-2-3-4-5-6-7-8-9-10-11/h4-5,8-10H,2-3H2,1H3
InChIKeyRPRDZOKGILIXOC-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.10
Rot. Bonds3

About deca-2,6-dien-4-ynal

deca-2,6-dien-4-ynal (PubChem CID 162929085) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is deca-2,6-dien-4-ynal.

Molecular Properties

Compound Namedeca-2,6-dien-4-ynal
PubChem CID162929085
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Namedeca-2,6-dien-4-ynal
SMILESCCCC=CC#CC=CC=O
InChIInChI=1S/C10H12O/c1-2-3-4-5-6-7-8-9-10-11/h4-5,8-10H,2-3H2,1H3
InChIKeyRPRDZOKGILIXOC-UHFFFAOYSA-N
XLogP2.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-hex-2-enal
CID 158800846
(4E)-octa-2,4-dienal
CID 175603405
dec-4-en-6-yne
CID 556417
hept-3-en-1-ynyl(trimethyl)silane
CID 71438831
dodec-2-enal;(E)-hex-2-enal
CID 159709120
(2E,8Z)-10-hydroxydeca-2,8-dien-4,6-diynal
CID 131247645
tetradeca-2,8,10-trien-4,6-diyn-1-ol
CID 175993693
(5E)-1,1-diethoxynona-1,5-dien-3-yne
CID 175096031
(E)-dec-6-en-2,4-diyn-1-ol
CID 102504550
CID 136693151
CID 136693151
(4Z,8E)-dodeca-4,8-diene
CID 12576906
ethane;(E)-oct-4-ene
CID 142055407

Frequently Asked Questions

What is the IUPAC name of deca-2,6-dien-4-ynal?
The IUPAC name of deca-2,6-dien-4-ynal (CID 162929085) is deca-2,6-dien-4-ynal.
What is the SMILES notation for deca-2,6-dien-4-ynal?
The canonical SMILES for deca-2,6-dien-4-ynal is CCCC=CC#CC=CC=O.
What is the InChIKey of deca-2,6-dien-4-ynal?
The InChIKey is RPRDZOKGILIXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-2-3-4-5-6-7-8-9-10-11/h4-5,8-10H,2-3H2,1H3.
What are the key properties of deca-2,6-dien-4-ynal?
deca-2,6-dien-4-ynal has a molecular weight of 148.20 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for deca-2,6-dien-4-ynal is sourced from PubChem (CID 162929085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).