ethyl (7E)-4-hydroxy-6,6-dimethyl-2-methylidenedeca-7,9-dienoate

C15H24O3 — CID 10988770

IUPACethyl (7E)-4-hydroxy-6,6-dimethyl-2-methylidenedeca-7,9-dienoate
SMILESC=C/C=C/C(C)(C)CC(O)CC(=C)C(=O)OCC
InChIInChI=1S/C15H24O3/c1-6-8-9-15(4,5)11-13(16)10-12(3)14(17)18-7-2/h6,8-9,13,16H,1,3,7,10-11H2,2,4-5H3/b9-8+
InChIKeyLQMQLFOOJHTSHP-CMDGGOBGSA-N
MW252.35 g/mol
LogP3.02
Rot. Bonds8

About ethyl (7E)-4-hydroxy-6,6-dimethyl-2-methylidenedeca-7,9-dienoate

ethyl (7E)-4-hydroxy-6,6-dimethyl-2-methylidenedeca-7,9-dienoate (PubChem CID 10988770) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is ethyl (7E)-4-hydroxy-6,6-dimethyl-2-methylidenedeca-7,9-dienoate.

Molecular Properties

Compound Nameethyl (7E)-4-hydroxy-6,6-dimethyl-2-methylidenedeca-7,9-dienoate
PubChem CID10988770
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Nameethyl (7E)-4-hydroxy-6,6-dimethyl-2-methylidenedeca-7,9-dienoate
SMILESC=C/C=C/C(C)(C)CC(O)CC(=C)C(=O)OCC
InChIInChI=1S/C15H24O3/c1-6-8-9-15(4,5)11-13(16)10-12(3)14(17)18-7-2/h6,8-9,13,16H,1,3,7,10-11H2,2,4-5H3/b9-8+
InChIKeyLQMQLFOOJHTSHP-CMDGGOBGSA-N
XLogP3.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.02
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

(3aR,8aR)-6-[(3S)-3-hydroxybutyl]-3,7-dimethylidene-3a,4,8,8a-tetrahydrocyclohepta[b]furan-2-one
CID 162842571
5-[(3E)-2,2-dimethylhexa-3,5-dienyl]-3-methylideneoxolan-2-one
CID 10856651
Ethyl 4-hydroxy-3,3-dimethylbicyclo[3.2.0]hepta-1,5-diene-6-carboxylate
CID 11715430
Ethyl 4-hydroxy-6-methyl-2-methylideneheptanoate
CID 13679447
methyl (7E)-4-hydroxy-2-methylidenedeca-7,9-dienoate
CID 134872589
methyl (8E,10E)-4-hydroxy-12-(2-methoxyethoxymethoxy)-7,7-dimethyl-2-methylidenedodeca-8,10-dienoate
CID 134872670
methyl (7E)-4-hydroxy-6,6-dimethyl-2-methylidenedeca-7,9-dienoate
CID 134892575
ethyl (8E,10E)-4-hydroxy-12-(2-methoxyethoxymethoxy)-7,7-dimethyl-2-methylidenedodeca-8,10-dienoate
CID 11811093
[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl] (Z,12R)-12-hydroxyoctadec-9-enoate
CID 88861472
[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] (Z,12R)-12-hydroxyoctadec-9-enoate
CID 88861473
[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] (12R)-12-hydroxyoctadec-9-enoate
CID 123775875
(1S)-2-[(1E,3E,5E)-3,7-dimethylocta-1,3,5,7-tetraenyl]-5-hydroxy-1,3-dimethylcyclohex-2-ene-1-carboxylic acid
CID 135195905

Frequently Asked Questions

What is the IUPAC name of ethyl (7E)-4-hydroxy-6,6-dimethyl-2-methylidenedeca-7,9-dienoate?
The IUPAC name of ethyl (7E)-4-hydroxy-6,6-dimethyl-2-methylidenedeca-7,9-dienoate (CID 10988770) is ethyl (7E)-4-hydroxy-6,6-dimethyl-2-methylidenedeca-7,9-dienoate.
What is the SMILES notation for ethyl (7E)-4-hydroxy-6,6-dimethyl-2-methylidenedeca-7,9-dienoate?
The canonical SMILES for ethyl (7E)-4-hydroxy-6,6-dimethyl-2-methylidenedeca-7,9-dienoate is C=C/C=C/C(C)(C)CC(O)CC(=C)C(=O)OCC.
What is the InChIKey of ethyl (7E)-4-hydroxy-6,6-dimethyl-2-methylidenedeca-7,9-dienoate?
The InChIKey is LQMQLFOOJHTSHP-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H24O3/c1-6-8-9-15(4,5)11-13(16)10-12(3)14(17)18-7-2/h6,8-9,13,16H,1,3,7,10-11H2,2,4-5H3/b9-8+.
What are the key properties of ethyl (7E)-4-hydroxy-6,6-dimethyl-2-methylidenedeca-7,9-dienoate?
ethyl (7E)-4-hydroxy-6,6-dimethyl-2-methylidenedeca-7,9-dienoate has a molecular weight of 252.35 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (7E)-4-hydroxy-6,6-dimethyl-2-methylidenedeca-7,9-dienoate is sourced from PubChem (CID 10988770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).