(2S,3E,6E)-2,6-dimethylocta-3,6-diene-1,2,8-triol

C10H18O3 — CID 162903139

IUPAC(2S,3E,6E)-2,6-dimethylocta-3,6-diene-1,2,8-triol
SMILESC/C(=C\CO)C/C=C/[C@](C)(O)CO
InChIInChI=1S/C10H18O3/c1-9(5-7-11)4-3-6-10(2,13)8-12/h3,5-6,11-13H,4,7-8H2,1-2H3/b6-3+,9-5+/t10-/m0/s1
InChIKeyIRUIGQKPFNFHOD-UQGAZIPXSA-N
MW186.25 g/mol
LogP0.61
Rot. Bonds5

About (2S,3E,6E)-2,6-dimethylocta-3,6-diene-1,2,8-triol

(2S,3E,6E)-2,6-dimethylocta-3,6-diene-1,2,8-triol (PubChem CID 162903139) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S,3E,6E)-2,6-dimethylocta-3,6-diene-1,2,8-triol.

Molecular Properties

Compound Name(2S,3E,6E)-2,6-dimethylocta-3,6-diene-1,2,8-triol
PubChem CID162903139
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(2S,3E,6E)-2,6-dimethylocta-3,6-diene-1,2,8-triol
SMILESC/C(=C\CO)C/C=C/[C@](C)(O)CO
InChIInChI=1S/C10H18O3/c1-9(5-7-11)4-3-6-10(2,13)8-12/h3,5-6,11-13H,4,7-8H2,1-2H3/b6-3+,9-5+/t10-/m0/s1
InChIKeyIRUIGQKPFNFHOD-UQGAZIPXSA-N
XLogP0.61
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,3E,6E)-2,6-dimethylocta-3,6-diene-1,2,8-triol with MolForge

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Related Compounds

(6E)-8-Hydroxylinalool
CID 5280678
Npc213918
CID 5352452
3,7-Dimethyl-3-octene-1,2,6,7-tetrol
CID 15885840
6,10-Dimethylundeca-1,5,9-trien-4-ol
CID 5365897
(2Z,5E)-7-hydroperoxy-3,7-dimethylocta-2,5-dien-1-ol
CID 21630854
2-(Y(E)-propenyl)-octa-4(E),6(Z)-diene-1,2diol
CID 10511649
(2E,6S)-2,6-dimethylocta-2,7-diene-1,6-diol
CID 11206026
Separacene A
CID 132607460
Separacene D
CID 139587843
EINECS 249-293-9, AI3-20002, CID5365897, 6,10-Dimethylundeca-1,5,9-trien-4-ol, 1,5,9-Undecatrien-4-ol, 6,10-dimethyl-, 2,6,10-Undecatrien-8-ol, 2,6-dimethyl-, 28897-20-3
CID 120085
CID 188028
CID 188028
2,5,5-Trimethylhepta-2,6-diene-1,4-diol
CID 57146152

Frequently Asked Questions

What is the IUPAC name of (2S,3E,6E)-2,6-dimethylocta-3,6-diene-1,2,8-triol?
The IUPAC name of (2S,3E,6E)-2,6-dimethylocta-3,6-diene-1,2,8-triol (CID 162903139) is (2S,3E,6E)-2,6-dimethylocta-3,6-diene-1,2,8-triol.
What is the SMILES notation for (2S,3E,6E)-2,6-dimethylocta-3,6-diene-1,2,8-triol?
The canonical SMILES for (2S,3E,6E)-2,6-dimethylocta-3,6-diene-1,2,8-triol is C/C(=C\CO)C/C=C/[C@](C)(O)CO.
What is the InChIKey of (2S,3E,6E)-2,6-dimethylocta-3,6-diene-1,2,8-triol?
The InChIKey is IRUIGQKPFNFHOD-UQGAZIPXSA-N. The full InChI is InChI=1S/C10H18O3/c1-9(5-7-11)4-3-6-10(2,13)8-12/h3,5-6,11-13H,4,7-8H2,1-2H3/b6-3+,9-5+/t10-/m0/s1.
What are the key properties of (2S,3E,6E)-2,6-dimethylocta-3,6-diene-1,2,8-triol?
(2S,3E,6E)-2,6-dimethylocta-3,6-diene-1,2,8-triol has a molecular weight of 186.25 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3E,6E)-2,6-dimethylocta-3,6-diene-1,2,8-triol is sourced from PubChem (CID 162903139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).