(2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol;methoxymethane

C22H40O3 — CID 23466441

IUPAC(2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol;methoxymethane
SMILESCC(C)=CCC/C(C)=C/CC/C(=C/CC/C(C)=C/CO)CO.COC
InChIInChI=1S/C20H34O2.C2H6O/c1-17(2)8-5-9-18(3)10-6-12-20(16-22)13-7-11-19(4)14-15-21;1-3-2/h8,10,13-14,21-22H,5-7,9,11-12,15-16H2,1-4H3;1-2H3/b18-10+,19-14+,20-13-;
InChIKeyIRFQTBLVOVKUKG-GYMDSIIMSA-N
MW352.56 g/mol
LogP5.36
Rot. Bonds11

About (2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol;methoxymethane

(2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol;methoxymethane (PubChem CID 23466441) has the molecular formula C22H40O3 and a molecular weight of 352.56 g/mol. Its IUPAC name is (2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol;methoxymethane.

Molecular Properties

Compound Name(2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol;methoxymethane
PubChem CID23466441
Molecular FormulaC22H40O3
Molecular Weight352.56 g/mol
Exact Mass352.30
IUPAC Name(2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol;methoxymethane
SMILESCC(C)=CCC/C(C)=C/CC/C(=C/CC/C(C)=C/CO)CO.COC
InChIInChI=1S/C20H34O2.C2H6O/c1-17(2)8-5-9-18(3)10-6-12-20(16-22)13-7-11-19(4)14-15-21;1-3-2/h8,10,13-14,21-22H,5-7,9,11-12,15-16H2,1-4H3;1-2H3/b18-10+,19-14+,20-13-;
InChIKeyIRFQTBLVOVKUKG-GYMDSIIMSA-N
XLogP5.36
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.56
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E,6E,10E)-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-triene-1,12-diol
CID 10236560
(2Z,6E,10E)-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-triene-1,12-diol
CID 23466450
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
(2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride
CID 126649589
ethoxyethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol
CID 173407117
(2E,4R,6E,10E)-4-deuterio-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
CID 25239942
[(2E,6E)-7-(hydroxymethyl)-3,11-dimethyldodeca-2,6,10-trienyl] acetate
CID 21159763
(6Z,10Z,14Z,18Z)-2,23-bis(hydroxymethyl)-6,10,15,19-tetramethyltetracosa-2,6,10,14,18,22-hexaene-1,24-diol
CID 25112523
4-ethyl-8,12-dimethyltrideca-3,7,11-trien-1-ol
CID 156748576
methyl (4E,8E)-2-acetyl-5-(hydroxymethyl)-9,13-dimethyltetradeca-4,8,12-trienoate
CID 166542020
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318

Frequently Asked Questions

What is the IUPAC name of (2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol;methoxymethane?
The IUPAC name of (2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol;methoxymethane (CID 23466441) is (2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol;methoxymethane.
What is the SMILES notation for (2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol;methoxymethane?
The canonical SMILES for (2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol;methoxymethane is CC(C)=CCC/C(C)=C/CC/C(=C/CC/C(C)=C/CO)CO.COC.
What is the InChIKey of (2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol;methoxymethane?
The InChIKey is IRFQTBLVOVKUKG-GYMDSIIMSA-N. The full InChI is InChI=1S/C20H34O2.C2H6O/c1-17(2)8-5-9-18(3)10-6-12-20(16-22)13-7-11-19(4)14-15-21;1-3-2/h8,10,13-14,21-22H,5-7,9,11-12,15-16H2,1-4H3;1-2H3/b18-10+,19-14+,20-13-;.
What are the key properties of (2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol;methoxymethane?
(2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol;methoxymethane has a molecular weight of 352.56 g/mol, XLogP of 5.36, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol;methoxymethane is sourced from PubChem (CID 23466441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).