3,7-dimethylocta-1,6-diene-3,4,5-triol

C10H18O3 — CID 100935235

IUPAC3,7-dimethylocta-1,6-diene-3,4,5-triol
SMILESC=CC(C)(O)C(O)C(O)C=C(C)C
InChIInChI=1S/C10H18O3/c1-5-10(4,13)9(12)8(11)6-7(2)3/h5-6,8-9,11-13H,1H2,2-4H3
InChIKeyUBKAPFPNNLGJBH-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.61
Rot. Bonds4

About 3,7-dimethylocta-1,6-diene-3,4,5-triol

3,7-dimethylocta-1,6-diene-3,4,5-triol (PubChem CID 100935235) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3,7-dimethylocta-1,6-diene-3,4,5-triol.

Molecular Properties

Compound Name3,7-dimethylocta-1,6-diene-3,4,5-triol
PubChem CID100935235
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name3,7-dimethylocta-1,6-diene-3,4,5-triol
SMILESC=CC(C)(O)C(O)C(O)C=C(C)C
InChIInChI=1S/C10H18O3/c1-5-10(4,13)9(12)8(11)6-7(2)3/h5-6,8-9,11-13H,1H2,2-4H3
InChIKeyUBKAPFPNNLGJBH-UHFFFAOYSA-N
XLogP0.61
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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 3,7-dimethylocta-1,6-diene-3,4,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethylocta-1,6-diene-3,4,5-triol?
The IUPAC name of 3,7-dimethylocta-1,6-diene-3,4,5-triol (CID 100935235) is 3,7-dimethylocta-1,6-diene-3,4,5-triol.
What is the SMILES notation for 3,7-dimethylocta-1,6-diene-3,4,5-triol?
The canonical SMILES for 3,7-dimethylocta-1,6-diene-3,4,5-triol is C=CC(C)(O)C(O)C(O)C=C(C)C.
What is the InChIKey of 3,7-dimethylocta-1,6-diene-3,4,5-triol?
The InChIKey is UBKAPFPNNLGJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-5-10(4,13)9(12)8(11)6-7(2)3/h5-6,8-9,11-13H,1H2,2-4H3.
What are the key properties of 3,7-dimethylocta-1,6-diene-3,4,5-triol?
3,7-dimethylocta-1,6-diene-3,4,5-triol has a molecular weight of 186.25 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethylocta-1,6-diene-3,4,5-triol is sourced from PubChem (CID 100935235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).