methyl (2E,4E,6E,8E)-10-hydroxydeca-2,4,6,8-tetraenoate

C11H14O3 — CID 177407003

IUPACmethyl (2E,4E,6E,8E)-10-hydroxydeca-2,4,6,8-tetraenoate
SMILESCOC(=O)/C=C/C=C/C=C/C=C/CO
InChIInChI=1S/C11H14O3/c1-14-11(13)9-7-5-3-2-4-6-8-10-12/h2-9,12H,10H2,1H3/b4-2+,5-3+,8-6+,9-7+
InChIKeyVGDHLEBAPAJAJV-VTXBTNDESA-N
MW194.23 g/mol
LogP1.38
Rot. Bonds5

About methyl (2E,4E,6E,8E)-10-hydroxydeca-2,4,6,8-tetraenoate

methyl (2E,4E,6E,8E)-10-hydroxydeca-2,4,6,8-tetraenoate (PubChem CID 177407003) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl (2E,4E,6E,8E)-10-hydroxydeca-2,4,6,8-tetraenoate.

Molecular Properties

Compound Namemethyl (2E,4E,6E,8E)-10-hydroxydeca-2,4,6,8-tetraenoate
PubChem CID177407003
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Namemethyl (2E,4E,6E,8E)-10-hydroxydeca-2,4,6,8-tetraenoate
SMILESCOC(=O)/C=C/C=C/C=C/C=C/CO
InChIInChI=1S/C11H14O3/c1-14-11(13)9-7-5-3-2-4-6-8-10-12/h2-9,12H,10H2,1H3/b4-2+,5-3+,8-6+,9-7+
InChIKeyVGDHLEBAPAJAJV-VTXBTNDESA-N
XLogP1.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethyl octa-2,4,6-trienedioate
CID 5250542
methyl deca-2,4,6-trienoate
CID 57131946
methyl (2E,4E,8Z,10E,12E)-tetradeca-2,4,8,10,12-pentaenoate
CID 139599901
methyl (2E,4E)-6-oxohepta-2,4-dienoate
CID 13383933
methyl (2E,4E,6E)-undeca-2,4,6-trienoate
CID 21044545
methyl (2E,4E)-octadeca-2,4,6-trienoate
CID 141180621
methyl 9-hydroxy-2-methylnona-3,5,7-trienoate
CID 141310266
methyl 5-(dimethylamino)penta-2,4-dienoate
CID 85176290
6-O-ethyl 1-O-methyl (2E,4E)-hexa-2,4-dienedioate
CID 87458458
methyl (4Z)-undeca-2,4-dienoate
CID 172824918
cyclopropane;methyl icosa-2,4,6,8,10-pentaenoate
CID 173004856
methyl (2E,4E)-6-amino-6-oxohexa-2,4-dienoate
CID 15562430

Frequently Asked Questions

What is the IUPAC name of methyl (2E,4E,6E,8E)-10-hydroxydeca-2,4,6,8-tetraenoate?
The IUPAC name of methyl (2E,4E,6E,8E)-10-hydroxydeca-2,4,6,8-tetraenoate (CID 177407003) is methyl (2E,4E,6E,8E)-10-hydroxydeca-2,4,6,8-tetraenoate.
What is the SMILES notation for methyl (2E,4E,6E,8E)-10-hydroxydeca-2,4,6,8-tetraenoate?
The canonical SMILES for methyl (2E,4E,6E,8E)-10-hydroxydeca-2,4,6,8-tetraenoate is COC(=O)/C=C/C=C/C=C/C=C/CO.
What is the InChIKey of methyl (2E,4E,6E,8E)-10-hydroxydeca-2,4,6,8-tetraenoate?
The InChIKey is VGDHLEBAPAJAJV-VTXBTNDESA-N. The full InChI is InChI=1S/C11H14O3/c1-14-11(13)9-7-5-3-2-4-6-8-10-12/h2-9,12H,10H2,1H3/b4-2+,5-3+,8-6+,9-7+.
What are the key properties of methyl (2E,4E,6E,8E)-10-hydroxydeca-2,4,6,8-tetraenoate?
methyl (2E,4E,6E,8E)-10-hydroxydeca-2,4,6,8-tetraenoate has a molecular weight of 194.23 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4E,6E,8E)-10-hydroxydeca-2,4,6,8-tetraenoate is sourced from PubChem (CID 177407003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).