3,7-dimethylocta-3,6-diene-1,5-diol

C10H18O2 — CID 174979405

IUPAC3,7-dimethylocta-3,6-diene-1,5-diol
SMILESCC(C)=CC(O)C=C(C)CCO
InChIInChI=1S/C10H18O2/c1-8(2)6-10(12)7-9(3)4-5-11/h6-7,10-12H,4-5H2,1-3H3
InChIKeyZYSDKYORTZJAIW-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.64
Rot. Bonds4

About 3,7-dimethylocta-3,6-diene-1,5-diol

3,7-dimethylocta-3,6-diene-1,5-diol (PubChem CID 174979405) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3,7-dimethylocta-3,6-diene-1,5-diol.

Molecular Properties

Compound Name3,7-dimethylocta-3,6-diene-1,5-diol
PubChem CID174979405
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3,7-dimethylocta-3,6-diene-1,5-diol
SMILESCC(C)=CC(O)C=C(C)CCO
InChIInChI=1S/C10H18O2/c1-8(2)6-10(12)7-9(3)4-5-11/h6-7,10-12H,4-5H2,1-3H3
InChIKeyZYSDKYORTZJAIW-UHFFFAOYSA-N
XLogP1.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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 3,7-dimethylocta-3,6-diene-1,5-diol?
The IUPAC name of 3,7-dimethylocta-3,6-diene-1,5-diol (CID 174979405) is 3,7-dimethylocta-3,6-diene-1,5-diol.
What is the SMILES notation for 3,7-dimethylocta-3,6-diene-1,5-diol?
The canonical SMILES for 3,7-dimethylocta-3,6-diene-1,5-diol is CC(C)=CC(O)C=C(C)CCO.
What is the InChIKey of 3,7-dimethylocta-3,6-diene-1,5-diol?
The InChIKey is ZYSDKYORTZJAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2)6-10(12)7-9(3)4-5-11/h6-7,10-12H,4-5H2,1-3H3.
What are the key properties of 3,7-dimethylocta-3,6-diene-1,5-diol?
3,7-dimethylocta-3,6-diene-1,5-diol has a molecular weight of 170.25 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethylocta-3,6-diene-1,5-diol is sourced from PubChem (CID 174979405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).