dodeca-2,4,10-trien-6,8-diynal

C12H10O — CID 85397218

IUPACdodeca-2,4,10-trien-6,8-diynal
SMILESCC=CC#CC#CC=CC=CC=O
InChIInChI=1S/C12H10O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-3,8-12H,1H3
InChIKeyRPGWTMRAPQYNAH-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.88
Rot. Bonds2

About dodeca-2,4,10-trien-6,8-diynal

dodeca-2,4,10-trien-6,8-diynal (PubChem CID 85397218) has the molecular formula C12H10O and a molecular weight of 170.21 g/mol. Its IUPAC name is dodeca-2,4,10-trien-6,8-diynal.

Molecular Properties

Compound Namedodeca-2,4,10-trien-6,8-diynal
PubChem CID85397218
Molecular FormulaC12H10O
Molecular Weight170.21 g/mol
Exact Mass170.07
IUPAC Namedodeca-2,4,10-trien-6,8-diynal
SMILESCC=CC#CC#CC=CC=CC=O
InChIInChI=1S/C12H10O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-3,8-12H,1H3
InChIKeyRPGWTMRAPQYNAH-UHFFFAOYSA-N
XLogP1.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.88
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': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

dodeca-2,4-dien-6,8,10-triyne
CID 163085735
hexadeca-6,8,14-trien-10,12-diynoic acid
CID 85034016
(2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenedial
CID 102293194
(2E,8Z)-10-hydroxydeca-2,8-dien-4,6-diynal
CID 131247645
2-acetyloxytrideca-3,5,11-trien-7,9-diynyl acetate
CID 85159009
[(4E,6E,12E)-3-hydroxytetradeca-4,6,12-trien-8,10-diynyl] acetate
CID 15081403
[(3S,4E,6E,12E)-1-hydroxytetradeca-4,6,12-trien-8,10-diyn-3-yl] acetate
CID 162966552
(3S)-heptadeca-7,9,15-trien-11,13-diyn-3-ol
CID 71425389
but-2-enedial;copper
CID 174314977
but-2-enal;chromium
CID 174881364
but-2-enal;hydron
CID 174715160
(5E,7E,11E,13E)-pentadeca-5,7,11,13-tetraen-9-ynal
CID 15081392

Frequently Asked Questions

What is the IUPAC name of dodeca-2,4,10-trien-6,8-diynal?
The IUPAC name of dodeca-2,4,10-trien-6,8-diynal (CID 85397218) is dodeca-2,4,10-trien-6,8-diynal.
What is the SMILES notation for dodeca-2,4,10-trien-6,8-diynal?
The canonical SMILES for dodeca-2,4,10-trien-6,8-diynal is CC=CC#CC#CC=CC=CC=O.
What is the InChIKey of dodeca-2,4,10-trien-6,8-diynal?
The InChIKey is RPGWTMRAPQYNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-3,8-12H,1H3.
What are the key properties of dodeca-2,4,10-trien-6,8-diynal?
dodeca-2,4,10-trien-6,8-diynal has a molecular weight of 170.21 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodeca-2,4,10-trien-6,8-diynal is sourced from PubChem (CID 85397218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).