2,6-dimethylocta-2,4,6-triene-1,1,8-triol

C10H16O3 — CID 88826789

IUPAC2,6-dimethylocta-2,4,6-triene-1,1,8-triol
SMILESCC(C=CC=C(C)C(O)O)=CCO
InChIInChI=1S/C10H16O3/c1-8(6-7-11)4-3-5-9(2)10(12)13/h3-6,10-13H,7H2,1-2H3
InChIKeyYKSNFILYEYDJHT-UHFFFAOYSA-N
MW184.23 g/mol
LogP0.74
Rot. Bonds4

About 2,6-dimethylocta-2,4,6-triene-1,1,8-triol

2,6-dimethylocta-2,4,6-triene-1,1,8-triol (PubChem CID 88826789) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2,6-dimethylocta-2,4,6-triene-1,1,8-triol.

Molecular Properties

Compound Name2,6-dimethylocta-2,4,6-triene-1,1,8-triol
PubChem CID88826789
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2,6-dimethylocta-2,4,6-triene-1,1,8-triol
SMILESCC(C=CC=C(C)C(O)O)=CCO
InChIInChI=1S/C10H16O3/c1-8(6-7-11)4-3-5-9(2)10(12)13/h3-6,10-13H,7H2,1-2H3
InChIKeyYKSNFILYEYDJHT-UHFFFAOYSA-N
XLogP0.74
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-methylocta-2,4,6-trien-1-ol
CID 130124602
3,7-dimethyl-9-(2,2,6-trimethylcyclohexylidene)nona-2,4,6-triene-1,8-diol
CID 173441738
(2E,4E,6E,8E,10E,12E,14E)-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14-heptaene-1,16-diol
CID 87914348
(2E,4E,6E,8E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaen-1-ol
CID 24860841
5-bromo-3-methylpenta-2,4-dien-1-ol
CID 138114565
(2E,4E)-5-iodo-3-methylpenta-2,4-dien-1-ol
CID 14991226
(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15,16-pentamethylheptadeca-2,4,6,8,10,12,14-heptaen-1-ol
CID 58633476
2-ethoxy-6,10-dimethylundeca-2,4,6,9-tetraene
CID 54102571
(2E)-2-methylpenta-2,4-diene-1,1-diol
CID 142275116
3-methylpenta-2,4-dien-1-ol
CID 534959
(2Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol
CID 87243014
(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol
CID 5354043

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylocta-2,4,6-triene-1,1,8-triol?
The IUPAC name of 2,6-dimethylocta-2,4,6-triene-1,1,8-triol (CID 88826789) is 2,6-dimethylocta-2,4,6-triene-1,1,8-triol.
What is the SMILES notation for 2,6-dimethylocta-2,4,6-triene-1,1,8-triol?
The canonical SMILES for 2,6-dimethylocta-2,4,6-triene-1,1,8-triol is CC(C=CC=C(C)C(O)O)=CCO.
What is the InChIKey of 2,6-dimethylocta-2,4,6-triene-1,1,8-triol?
The InChIKey is YKSNFILYEYDJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-8(6-7-11)4-3-5-9(2)10(12)13/h3-6,10-13H,7H2,1-2H3.
What are the key properties of 2,6-dimethylocta-2,4,6-triene-1,1,8-triol?
2,6-dimethylocta-2,4,6-triene-1,1,8-triol has a molecular weight of 184.23 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylocta-2,4,6-triene-1,1,8-triol is sourced from PubChem (CID 88826789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).