methyl (2E,4E)-7-hydroxy-9-(methoxymethoxy)-6,8-dimethylnona-2,4-dienoate

C14H24O5 — CID 5364250

IUPACmethyl (2E,4E)-7-hydroxy-9-(methoxymethoxy)-6,8-dimethylnona-2,4-dienoate
SMILESCOCOCC(C)C(O)C(C)/C=C/C=C/C(=O)OC
InChIInChI=1S/C14H24O5/c1-11(7-5-6-8-13(15)18-4)14(16)12(2)9-19-10-17-3/h5-8,11-12,14,16H,9-10H2,1-4H3/b7-5+,8-6+
InChIKeyQNBQKGITPWCNNY-KQQUZDAGSA-N
MW272.34 g/mol
LogP1.53
Rot. Bonds9

About methyl (2E,4E)-7-hydroxy-9-(methoxymethoxy)-6,8-dimethylnona-2,4-dienoate

methyl (2E,4E)-7-hydroxy-9-(methoxymethoxy)-6,8-dimethylnona-2,4-dienoate (PubChem CID 5364250) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is methyl (2E,4E)-7-hydroxy-9-(methoxymethoxy)-6,8-dimethylnona-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2E,4E)-7-hydroxy-9-(methoxymethoxy)-6,8-dimethylnona-2,4-dienoate
PubChem CID5364250
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Namemethyl (2E,4E)-7-hydroxy-9-(methoxymethoxy)-6,8-dimethylnona-2,4-dienoate
SMILESCOCOCC(C)C(O)C(C)/C=C/C=C/C(=O)OC
InChIInChI=1S/C14H24O5/c1-11(7-5-6-8-13(15)18-4)14(16)12(2)9-19-10-17-3/h5-8,11-12,14,16H,9-10H2,1-4H3/b7-5+,8-6+
InChIKeyQNBQKGITPWCNNY-KQQUZDAGSA-N
XLogP1.53
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze methyl (2E,4E)-7-hydroxy-9-(methoxymethoxy)-6,8-dimethylnona-2,4-dienoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2E,4E,6E,8E,10E)-13-hydroxy-12-methyltetradeca-2,4,6,8,10-pentaenoate
CID 5458230
methyl (2E,4E)-6-amino-6-oxohexa-2,4-dienoate
CID 15562430
methyl (E,4S,5S,6S)-4,5-dihydroxy-6-methyl-7-phenylmethoxyhept-2-enoate
CID 72723656
dimethyl octa-2,4,6-trienedioate
CID 5250542
methyl (2E,4E)-6-oxohepta-2,4-dienoate
CID 13383933
carbon monoxide;iron;methyl (2E,4E,6S,9R)-6,9-dihydroxydeca-2,4-dienoate
CID 10959149
(2S,3R,4R)-2-ethyl-5-(methoxymethoxy)-4-methylpentane-1,3-diol
CID 101428801
methyl (E,4S,7S)-7-hydroxy-4-(methoxymethoxy)oct-2-enoate
CID 42643087
methyl (E,4S,5R)-5-hydroxy-4-methylhept-2-enoate
CID 11084337
methyl 4-bromopent-2-enoate
CID 54128087
methyl (E,5S,6R,7S)-6-hydroxy-5,7-dimethyl-8-phenylmethoxyoct-3-enoate
CID 11278189
methyl (2E,4E,9R)-9-hydroxydeca-2,4-dienoate
CID 10893104

Frequently Asked Questions

What is the IUPAC name of methyl (2E,4E)-7-hydroxy-9-(methoxymethoxy)-6,8-dimethylnona-2,4-dienoate?
The IUPAC name of methyl (2E,4E)-7-hydroxy-9-(methoxymethoxy)-6,8-dimethylnona-2,4-dienoate (CID 5364250) is methyl (2E,4E)-7-hydroxy-9-(methoxymethoxy)-6,8-dimethylnona-2,4-dienoate.
What is the SMILES notation for methyl (2E,4E)-7-hydroxy-9-(methoxymethoxy)-6,8-dimethylnona-2,4-dienoate?
The canonical SMILES for methyl (2E,4E)-7-hydroxy-9-(methoxymethoxy)-6,8-dimethylnona-2,4-dienoate is COCOCC(C)C(O)C(C)/C=C/C=C/C(=O)OC.
What is the InChIKey of methyl (2E,4E)-7-hydroxy-9-(methoxymethoxy)-6,8-dimethylnona-2,4-dienoate?
The InChIKey is QNBQKGITPWCNNY-KQQUZDAGSA-N. The full InChI is InChI=1S/C14H24O5/c1-11(7-5-6-8-13(15)18-4)14(16)12(2)9-19-10-17-3/h5-8,11-12,14,16H,9-10H2,1-4H3/b7-5+,8-6+.
What are the key properties of methyl (2E,4E)-7-hydroxy-9-(methoxymethoxy)-6,8-dimethylnona-2,4-dienoate?
methyl (2E,4E)-7-hydroxy-9-(methoxymethoxy)-6,8-dimethylnona-2,4-dienoate has a molecular weight of 272.34 g/mol, XLogP of 1.53, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4E)-7-hydroxy-9-(methoxymethoxy)-6,8-dimethylnona-2,4-dienoate is sourced from PubChem (CID 5364250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).