2,3-dimethoxy-5-methyl-6-[(E)-2,5,7-trimethyloct-4-en-2-yl]cyclohexa-2,5-diene-1,4-diol

C20H34O4 — CID 70917092

IUPAC2,3-dimethoxy-5-methyl-6-[(E)-2,5,7-trimethyloct-4-en-2-yl]cyclohexa-2,5-diene-1,4-diol
SMILESCOC1=C(OC)C(O)C(C(C)(C)C/C=C(\C)CC(C)C)=C(C)C1O
InChIInChI=1S/C20H34O4/c1-12(2)11-13(3)9-10-20(5,6)15-14(4)16(21)18(23-7)19(24-8)17(15)22/h9,12,16-17,21-22H,10-11H2,1-8H3/b13-9+
InChIKeyZSFKGZDDUOIXBQ-UKTHLTGXSA-N
MW338.49 g/mol
LogP3.95
Rot. Bonds7

About 2,3-dimethoxy-5-methyl-6-[(E)-2,5,7-trimethyloct-4-en-2-yl]cyclohexa-2,5-diene-1,4-diol

2,3-dimethoxy-5-methyl-6-[(E)-2,5,7-trimethyloct-4-en-2-yl]cyclohexa-2,5-diene-1,4-diol (PubChem CID 70917092) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is 2,3-dimethoxy-5-methyl-6-[(E)-2,5,7-trimethyloct-4-en-2-yl]cyclohexa-2,5-diene-1,4-diol.

Molecular Properties

Compound Name2,3-dimethoxy-5-methyl-6-[(E)-2,5,7-trimethyloct-4-en-2-yl]cyclohexa-2,5-diene-1,4-diol
PubChem CID70917092
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Name2,3-dimethoxy-5-methyl-6-[(E)-2,5,7-trimethyloct-4-en-2-yl]cyclohexa-2,5-diene-1,4-diol
SMILESCOC1=C(OC)C(O)C(C(C)(C)C/C=C(\C)CC(C)C)=C(C)C1O
InChIInChI=1S/C20H34O4/c1-12(2)11-13(3)9-10-20(5,6)15-14(4)16(21)18(23-7)19(24-8)17(15)22/h9,12,16-17,21-22H,10-11H2,1-8H3/b13-9+
InChIKeyZSFKGZDDUOIXBQ-UKTHLTGXSA-N
XLogP3.95
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-methyl-6-[(E)-2,5,7-trimethyloct-4-en-2-yl]cyclohexa-2,5-diene-1,4-diol?
The IUPAC name of 2,3-dimethoxy-5-methyl-6-[(E)-2,5,7-trimethyloct-4-en-2-yl]cyclohexa-2,5-diene-1,4-diol (CID 70917092) is 2,3-dimethoxy-5-methyl-6-[(E)-2,5,7-trimethyloct-4-en-2-yl]cyclohexa-2,5-diene-1,4-diol.
What is the SMILES notation for 2,3-dimethoxy-5-methyl-6-[(E)-2,5,7-trimethyloct-4-en-2-yl]cyclohexa-2,5-diene-1,4-diol?
The canonical SMILES for 2,3-dimethoxy-5-methyl-6-[(E)-2,5,7-trimethyloct-4-en-2-yl]cyclohexa-2,5-diene-1,4-diol is COC1=C(OC)C(O)C(C(C)(C)C/C=C(\C)CC(C)C)=C(C)C1O.
What is the InChIKey of 2,3-dimethoxy-5-methyl-6-[(E)-2,5,7-trimethyloct-4-en-2-yl]cyclohexa-2,5-diene-1,4-diol?
The InChIKey is ZSFKGZDDUOIXBQ-UKTHLTGXSA-N. The full InChI is InChI=1S/C20H34O4/c1-12(2)11-13(3)9-10-20(5,6)15-14(4)16(21)18(23-7)19(24-8)17(15)22/h9,12,16-17,21-22H,10-11H2,1-8H3/b13-9+.
What are the key properties of 2,3-dimethoxy-5-methyl-6-[(E)-2,5,7-trimethyloct-4-en-2-yl]cyclohexa-2,5-diene-1,4-diol?
2,3-dimethoxy-5-methyl-6-[(E)-2,5,7-trimethyloct-4-en-2-yl]cyclohexa-2,5-diene-1,4-diol has a molecular weight of 338.49 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-5-methyl-6-[(E)-2,5,7-trimethyloct-4-en-2-yl]cyclohexa-2,5-diene-1,4-diol is sourced from PubChem (CID 70917092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).