4-(hydroxymethylidene)deca-2,9-dienal

C11H16O2 — CID 24787710

IUPAC4-(hydroxymethylidene)deca-2,9-dienal
SMILESC=CCCCCC(C=CC=O)=CO
InChIInChI=1S/C11H16O2/c1-2-3-4-5-7-11(10-13)8-6-9-12/h2,6,8-10,13H,1,3-5,7H2
InChIKeyNBCYLUOAQPUWKC-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.93
Rot. Bonds7

About 4-(hydroxymethylidene)deca-2,9-dienal

4-(hydroxymethylidene)deca-2,9-dienal (PubChem CID 24787710) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(hydroxymethylidene)deca-2,9-dienal.

Molecular Properties

Compound Name4-(hydroxymethylidene)deca-2,9-dienal
PubChem CID24787710
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name4-(hydroxymethylidene)deca-2,9-dienal
SMILESC=CCCCCC(C=CC=O)=CO
InChIInChI=1S/C11H16O2/c1-2-3-4-5-7-11(10-13)8-6-9-12/h2,6,8-10,13H,1,3-5,7H2
InChIKeyNBCYLUOAQPUWKC-UHFFFAOYSA-N
XLogP2.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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

tricosa-1,22-dien-12-one
CID 86210796
tritriacont-32-enoic acid
CID 54063641
nonadec-18-enamide
CID 166991988
octadec-17-enoic acid
CID 5312444
nonadec-18-enoic acid
CID 543857
hept-6-enoic acid;undec-10-enoic acid
CID 87675195
(2E)-tetradeca-2,13-dienal
CID 87269754
dec-9-eneperoxoic acid
CID 177164421
CID 164568303
CID 164568303
pentadec-14-enoyl bromide
CID 155164033
undeca-1,10-dien-3-one
CID 152625957
(1E)-2-methylocta-1,7-dien-1-ol
CID 88908688

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethylidene)deca-2,9-dienal?
The IUPAC name of 4-(hydroxymethylidene)deca-2,9-dienal (CID 24787710) is 4-(hydroxymethylidene)deca-2,9-dienal.
What is the SMILES notation for 4-(hydroxymethylidene)deca-2,9-dienal?
The canonical SMILES for 4-(hydroxymethylidene)deca-2,9-dienal is C=CCCCCC(C=CC=O)=CO.
What is the InChIKey of 4-(hydroxymethylidene)deca-2,9-dienal?
The InChIKey is NBCYLUOAQPUWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-3-4-5-7-11(10-13)8-6-9-12/h2,6,8-10,13H,1,3-5,7H2.
What are the key properties of 4-(hydroxymethylidene)deca-2,9-dienal?
4-(hydroxymethylidene)deca-2,9-dienal has a molecular weight of 180.25 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethylidene)deca-2,9-dienal is sourced from PubChem (CID 24787710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).