3,6-dimethylocta-1,7-diene-3,6-diol

C10H18O2 — CID 57150044

IUPAC3,6-dimethylocta-1,7-diene-3,6-diol
SMILESC=CC(C)(O)CCC(C)(O)C=C
InChIInChI=1S/C10H18O2/c1-5-9(3,11)7-8-10(4,12)6-2/h5-6,11-12H,1-2,7-8H2,3-4H3
InChIKeyHJDDHIRXSIYKMX-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.64
Rot. Bonds5

About 3,6-dimethylocta-1,7-diene-3,6-diol

3,6-dimethylocta-1,7-diene-3,6-diol (PubChem CID 57150044) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3,6-dimethylocta-1,7-diene-3,6-diol.

Molecular Properties

Compound Name3,6-dimethylocta-1,7-diene-3,6-diol
PubChem CID57150044
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3,6-dimethylocta-1,7-diene-3,6-diol
SMILESC=CC(C)(O)CCC(C)(O)C=C
InChIInChI=1S/C10H18O2/c1-5-9(3,11)7-8-10(4,12)6-2/h5-6,11-12H,1-2,7-8H2,3-4H3
InChIKeyHJDDHIRXSIYKMX-UHFFFAOYSA-N
XLogP1.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3,6-dimethylocta-1,7-diene-3,6-diol?
The IUPAC name of 3,6-dimethylocta-1,7-diene-3,6-diol (CID 57150044) is 3,6-dimethylocta-1,7-diene-3,6-diol.
What is the SMILES notation for 3,6-dimethylocta-1,7-diene-3,6-diol?
The canonical SMILES for 3,6-dimethylocta-1,7-diene-3,6-diol is C=CC(C)(O)CCC(C)(O)C=C.
What is the InChIKey of 3,6-dimethylocta-1,7-diene-3,6-diol?
The InChIKey is HJDDHIRXSIYKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-9(3,11)7-8-10(4,12)6-2/h5-6,11-12H,1-2,7-8H2,3-4H3.
What are the key properties of 3,6-dimethylocta-1,7-diene-3,6-diol?
3,6-dimethylocta-1,7-diene-3,6-diol has a molecular weight of 170.25 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethylocta-1,7-diene-3,6-diol is sourced from PubChem (CID 57150044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).