methyl (7E)-4-hydroxy-2-methylidenedeca-7,9-dienoate

C12H18O3 — CID 134872589

IUPACmethyl (7E)-4-hydroxy-2-methylidenedeca-7,9-dienoate
SMILESC=C/C=C/CCC(O)CC(=C)C(=O)OC
InChIInChI=1S/C12H18O3/c1-4-5-6-7-8-11(13)9-10(2)12(14)15-3/h4-6,11,13H,1-2,7-9H2,3H3/b6-5+
InChIKeyACLHKWCHOXSAJF-AATRIKPKSA-N
MW210.27 g/mol
LogP1.99
Rot. Bonds7

About methyl (7E)-4-hydroxy-2-methylidenedeca-7,9-dienoate

methyl (7E)-4-hydroxy-2-methylidenedeca-7,9-dienoate (PubChem CID 134872589) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is methyl (7E)-4-hydroxy-2-methylidenedeca-7,9-dienoate.

Molecular Properties

Compound Namemethyl (7E)-4-hydroxy-2-methylidenedeca-7,9-dienoate
PubChem CID134872589
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Namemethyl (7E)-4-hydroxy-2-methylidenedeca-7,9-dienoate
SMILESC=C/C=C/CCC(O)CC(=C)C(=O)OC
InChIInChI=1S/C12H18O3/c1-4-5-6-7-8-11(13)9-10(2)12(14)15-3/h4-6,11,13H,1-2,7-9H2,3H3/b6-5+
InChIKeyACLHKWCHOXSAJF-AATRIKPKSA-N
XLogP1.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.99
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

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methyl (E)-3-hydroxy-6-methyl-2-methylideneoct-6-enoate
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Methyl 4-hydroxy-trans-2,3-methylenehexadecanoate
CID 129854271
methyl (7E)-4-hydroxy-6,6-dimethyl-2-methylidenedeca-7,9-dienoate
CID 134892575
Ethyl 7-acetyloxy-4-hydroxy-2-methylideneheptanoate
CID 135005778
Methyl 4-hydroxy-2-methylidenedodecanoate
CID 135040807
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Frequently Asked Questions

What is the IUPAC name of methyl (7E)-4-hydroxy-2-methylidenedeca-7,9-dienoate?
The IUPAC name of methyl (7E)-4-hydroxy-2-methylidenedeca-7,9-dienoate (CID 134872589) is methyl (7E)-4-hydroxy-2-methylidenedeca-7,9-dienoate.
What is the SMILES notation for methyl (7E)-4-hydroxy-2-methylidenedeca-7,9-dienoate?
The canonical SMILES for methyl (7E)-4-hydroxy-2-methylidenedeca-7,9-dienoate is C=C/C=C/CCC(O)CC(=C)C(=O)OC.
What is the InChIKey of methyl (7E)-4-hydroxy-2-methylidenedeca-7,9-dienoate?
The InChIKey is ACLHKWCHOXSAJF-AATRIKPKSA-N. The full InChI is InChI=1S/C12H18O3/c1-4-5-6-7-8-11(13)9-10(2)12(14)15-3/h4-6,11,13H,1-2,7-9H2,3H3/b6-5+.
What are the key properties of methyl (7E)-4-hydroxy-2-methylidenedeca-7,9-dienoate?
methyl (7E)-4-hydroxy-2-methylidenedeca-7,9-dienoate has a molecular weight of 210.27 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (7E)-4-hydroxy-2-methylidenedeca-7,9-dienoate is sourced from PubChem (CID 134872589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).