2,6-dimethyloct-3-ene-2,5-diol

C10H20O2 — CID 154228438

IUPAC2,6-dimethyloct-3-ene-2,5-diol
SMILESCCC(C)C(O)C=CC(C)(C)O
InChIInChI=1S/C10H20O2/c1-5-8(2)9(11)6-7-10(3,4)12/h6-9,11-12H,5H2,1-4H3
InChIKeyUKQSDSDWAMCKRW-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.72
Rot. Bonds4

About 2,6-dimethyloct-3-ene-2,5-diol

2,6-dimethyloct-3-ene-2,5-diol (PubChem CID 154228438) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2,6-dimethyloct-3-ene-2,5-diol.

Molecular Properties

Compound Name2,6-dimethyloct-3-ene-2,5-diol
PubChem CID154228438
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2,6-dimethyloct-3-ene-2,5-diol
SMILESCCC(C)C(O)C=CC(C)(C)O
InChIInChI=1S/C10H20O2/c1-5-8(2)9(11)6-7-10(3,4)12/h6-9,11-12H,5H2,1-4H3
InChIKeyUKQSDSDWAMCKRW-UHFFFAOYSA-N
XLogP1.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-methylhex-3-ene-1,2,5-triol
CID 130145462
(2R,3R)-2-hydroxy-3-methylpentanal
CID 89028923
(E)-2,6-dimethyloct-3-en-2-ol
CID 6365952
2,6-dimethyloct-3-en-2-ol
CID 3019835
4-methylhex-1-en-3-ol;tris(2-methylprop-2-enoic acid)
CID 174398632
3-methylpentan-2-ol;3-methylpentan-3-ol
CID 158561904
3,4,5,6-tetramethyloctan-4-ol
CID 121007351
4,4,5,6-tetramethyloctan-2-ol
CID 156689477
(2S,3R)-3-methylpentan-2-ol
CID 6993006
3,4,5-trimethyl-3-(3-methylbutan-2-yl)heptan-2-ol
CID 140680514
3,5,7,7-tetramethyloctan-4-ol
CID 156689232
2-ethyl-3-methylpentane-1,1-diol
CID 151142103

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyloct-3-ene-2,5-diol?
The IUPAC name of 2,6-dimethyloct-3-ene-2,5-diol (CID 154228438) is 2,6-dimethyloct-3-ene-2,5-diol.
What is the SMILES notation for 2,6-dimethyloct-3-ene-2,5-diol?
The canonical SMILES for 2,6-dimethyloct-3-ene-2,5-diol is CCC(C)C(O)C=CC(C)(C)O.
What is the InChIKey of 2,6-dimethyloct-3-ene-2,5-diol?
The InChIKey is UKQSDSDWAMCKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-8(2)9(11)6-7-10(3,4)12/h6-9,11-12H,5H2,1-4H3.
What are the key properties of 2,6-dimethyloct-3-ene-2,5-diol?
2,6-dimethyloct-3-ene-2,5-diol has a molecular weight of 172.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyloct-3-ene-2,5-diol is sourced from PubChem (CID 154228438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).