methyl (8E,10E)-4-hydroxy-12-(2-methoxyethoxymethoxy)-7,7-dimethyl-2-methylidenedodeca-8,10-dienoate

C20H34O6 — CID 134872670

IUPACmethyl (8E,10E)-4-hydroxy-12-(2-methoxyethoxymethoxy)-7,7-dimethyl-2-methylidenedodeca-8,10-dienoate
SMILESC=C(CC(O)CCC(C)(C)/C=C/C=C/COCOCCOC)C(=O)OC
InChIInChI=1S/C20H34O6/c1-17(19(22)24-5)15-18(21)9-11-20(2,3)10-7-6-8-12-25-16-26-14-13-23-4/h6-8,10,18,21H,1,9,11-16H2,2-5H3/b8-6+,10-7+
InChIKeyCAOXWJMLDMHPTA-NBANWCDVSA-N
MW370.49 g/mol
LogP3.02
Rot. Bonds15

About methyl (8E,10E)-4-hydroxy-12-(2-methoxyethoxymethoxy)-7,7-dimethyl-2-methylidenedodeca-8,10-dienoate

methyl (8E,10E)-4-hydroxy-12-(2-methoxyethoxymethoxy)-7,7-dimethyl-2-methylidenedodeca-8,10-dienoate (PubChem CID 134872670) has the molecular formula C20H34O6 and a molecular weight of 370.49 g/mol. Its IUPAC name is methyl (8E,10E)-4-hydroxy-12-(2-methoxyethoxymethoxy)-7,7-dimethyl-2-methylidenedodeca-8,10-dienoate.

Molecular Properties

Compound Namemethyl (8E,10E)-4-hydroxy-12-(2-methoxyethoxymethoxy)-7,7-dimethyl-2-methylidenedodeca-8,10-dienoate
PubChem CID134872670
Molecular FormulaC20H34O6
Molecular Weight370.49 g/mol
Exact Mass370.24
IUPAC Namemethyl (8E,10E)-4-hydroxy-12-(2-methoxyethoxymethoxy)-7,7-dimethyl-2-methylidenedodeca-8,10-dienoate
SMILESC=C(CC(O)CCC(C)(C)/C=C/C=C/COCOCCOC)C(=O)OC
InChIInChI=1S/C20H34O6/c1-17(19(22)24-5)15-18(21)9-11-20(2,3)10-7-6-8-12-25-16-26-14-13-23-4/h6-8,10,18,21H,1,9,11-16H2,2-5H3/b8-6+,10-7+
InChIKeyCAOXWJMLDMHPTA-NBANWCDVSA-N
XLogP3.02
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 (8E,10E)-4-hydroxy-12-(2-methoxyethoxymethoxy)-7,7-dimethyl-2-methylidenedodeca-8,10-dienoate with MolForge

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Related Compounds

5-[(3E,5E)-7-(2-methoxyethoxymethoxy)-2,2-dimethylhepta-3,5-dienyl]-3-methylideneoxolan-2-one
CID 10903433
5-[(4E,6E)-8-(2-methoxyethoxymethoxy)-3,3-dimethylocta-4,6-dienyl]-3-methylideneoxolan-2-one
CID 11110538
methyl (7E)-4-hydroxy-6,6-dimethyl-2-methylidenedeca-7,9-dienoate
CID 134892575
ethyl 4-hydroxy-4-[(5R)-5-[(1R,2E)-1-(2-methoxyethoxymethoxy)penta-2,4-dienyl]-2,6,6-trimethylcyclohexen-1-yl]-2-methylidenebutanoate
CID 10873795
ethyl (7E)-4-hydroxy-6,6-dimethyl-2-methylidenedeca-7,9-dienoate
CID 10988770
ethyl (8E,10E)-4-hydroxy-12-(2-methoxyethoxymethoxy)-7,7-dimethyl-2-methylidenedodeca-8,10-dienoate
CID 11811093
(2S)-4-[2-hydroxy-7-(methoxymethoxy)-8-[2-[2-(methoxymethoxy)hexoxy]ethoxy]octyl]-2-methyl-2H-furan-5-one
CID 57558500
[(2S,3S,4E,6R)-2-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-(2-methoxy-2-oxoethylidene)-6-prop-2-enyloxan-3-yl] octanoate
CID 58932889
[(2S,3S,4Z,6R)-2-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-(2-methoxy-2-oxoethylidene)-6-prop-2-enyloxan-3-yl] octanoate
CID 59566117
[6,6-Di(hexanoyloxy)cyclohexa-2,4-dien-1-yl] 10,10-dimethylundecanoate
CID 140275640
(4S,5R)-5-dodecyl-4-[1-hydroxy-1-[(3Z,5E)-5-methoxyocta-3,5-dienoxy]ethyl]-4-methyl-3-methylideneoxolan-2-one
CID 143515231
ethyl (7E,9E)-4-hydroxy-11-(2-methoxyethoxymethoxy)-6,6-dimethyl-2-methylideneundeca-7,9-dienoate
CID 11728373

Frequently Asked Questions

What is the IUPAC name of methyl (8E,10E)-4-hydroxy-12-(2-methoxyethoxymethoxy)-7,7-dimethyl-2-methylidenedodeca-8,10-dienoate?
The IUPAC name of methyl (8E,10E)-4-hydroxy-12-(2-methoxyethoxymethoxy)-7,7-dimethyl-2-methylidenedodeca-8,10-dienoate (CID 134872670) is methyl (8E,10E)-4-hydroxy-12-(2-methoxyethoxymethoxy)-7,7-dimethyl-2-methylidenedodeca-8,10-dienoate.
What is the SMILES notation for methyl (8E,10E)-4-hydroxy-12-(2-methoxyethoxymethoxy)-7,7-dimethyl-2-methylidenedodeca-8,10-dienoate?
The canonical SMILES for methyl (8E,10E)-4-hydroxy-12-(2-methoxyethoxymethoxy)-7,7-dimethyl-2-methylidenedodeca-8,10-dienoate is C=C(CC(O)CCC(C)(C)/C=C/C=C/COCOCCOC)C(=O)OC.
What is the InChIKey of methyl (8E,10E)-4-hydroxy-12-(2-methoxyethoxymethoxy)-7,7-dimethyl-2-methylidenedodeca-8,10-dienoate?
The InChIKey is CAOXWJMLDMHPTA-NBANWCDVSA-N. The full InChI is InChI=1S/C20H34O6/c1-17(19(22)24-5)15-18(21)9-11-20(2,3)10-7-6-8-12-25-16-26-14-13-23-4/h6-8,10,18,21H,1,9,11-16H2,2-5H3/b8-6+,10-7+.
What are the key properties of methyl (8E,10E)-4-hydroxy-12-(2-methoxyethoxymethoxy)-7,7-dimethyl-2-methylidenedodeca-8,10-dienoate?
methyl (8E,10E)-4-hydroxy-12-(2-methoxyethoxymethoxy)-7,7-dimethyl-2-methylidenedodeca-8,10-dienoate has a molecular weight of 370.49 g/mol, XLogP of 3.02, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (8E,10E)-4-hydroxy-12-(2-methoxyethoxymethoxy)-7,7-dimethyl-2-methylidenedodeca-8,10-dienoate is sourced from PubChem (CID 134872670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).