(2E)-2-[(2-methylphenyl)methylidene]nonanal

C17H24O — CID 118666956

IUPAC(2E)-2-[(2-methylphenyl)methylidene]nonanal
SMILESCCCCCCC/C(C=O)=C\c1ccccc1C
InChIInChI=1S/C17H24O/c1-3-4-5-6-7-11-16(14-18)13-17-12-9-8-10-15(17)2/h8-10,12-14H,3-7,11H2,1-2H3/b16-13+
InChIKeyDATPOVRKKCVYAD-DTQAZKPQSA-N
MW244.38 g/mol
LogP4.94
Rot. Bonds8

About (2E)-2-[(2-methylphenyl)methylidene]nonanal

(2E)-2-[(2-methylphenyl)methylidene]nonanal (PubChem CID 118666956) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is (2E)-2-[(2-methylphenyl)methylidene]nonanal.

Molecular Properties

Compound Name(2E)-2-[(2-methylphenyl)methylidene]nonanal
PubChem CID118666956
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name(2E)-2-[(2-methylphenyl)methylidene]nonanal
SMILESCCCCCCC/C(C=O)=C\c1ccccc1C
InChIInChI=1S/C17H24O/c1-3-4-5-6-7-11-16(14-18)13-17-12-9-8-10-15(17)2/h8-10,12-14H,3-7,11H2,1-2H3/b16-13+
InChIKeyDATPOVRKKCVYAD-DTQAZKPQSA-N
XLogP4.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methylphenyl)methylideneamino]undecanamide
CID 4136077
(2E)-2-benzylideneoctanal;3-hydroxybutan-2-one
CID 174895321
cobalt;octanoic acid;1,2-xylene
CID 175075701
N'-(2-methylphenyl)heptanehydrazide
CID 11955771
1-ethenyl-2-methylbenzene;heptane
CID 173354339
1-(2-methylphenyl)undecan-1-one
CID 63409592
1-(2-methylphenyl)nonan-1-one
CID 63409672
(2E)-2-[(4-fluorophenyl)methylidene]heptanal
CID 135262924
1-(2,6-dimethylphenyl)nonan-1-one
CID 114026790
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
1-(2-methylphenyl)dodecane-1,2-dione
CID 4661081
(2E)-2-[(4-nitrophenyl)methylidene]decanal
CID 15437773

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2-methylphenyl)methylidene]nonanal?
The IUPAC name of (2E)-2-[(2-methylphenyl)methylidene]nonanal (CID 118666956) is (2E)-2-[(2-methylphenyl)methylidene]nonanal.
What is the SMILES notation for (2E)-2-[(2-methylphenyl)methylidene]nonanal?
The canonical SMILES for (2E)-2-[(2-methylphenyl)methylidene]nonanal is CCCCCCC/C(C=O)=C\c1ccccc1C.
What is the InChIKey of (2E)-2-[(2-methylphenyl)methylidene]nonanal?
The InChIKey is DATPOVRKKCVYAD-DTQAZKPQSA-N. The full InChI is InChI=1S/C17H24O/c1-3-4-5-6-7-11-16(14-18)13-17-12-9-8-10-15(17)2/h8-10,12-14H,3-7,11H2,1-2H3/b16-13+.
What are the key properties of (2E)-2-[(2-methylphenyl)methylidene]nonanal?
(2E)-2-[(2-methylphenyl)methylidene]nonanal has a molecular weight of 244.38 g/mol, XLogP of 4.94, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2-methylphenyl)methylidene]nonanal is sourced from PubChem (CID 118666956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).