3,7-dimethylocta-1,7-diene-2,6-diol

C10H18O2 — CID 87515747

IUPAC3,7-dimethylocta-1,7-diene-2,6-diol
SMILESC=C(O)C(C)CCC(O)C(=C)C
InChIInChI=1S/C10H18O2/c1-7(2)10(12)6-5-8(3)9(4)11/h8,10-12H,1,4-6H2,2-3H3
InChIKeyHREORQHJQZZSSC-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.41
Rot. Bonds5

About 3,7-dimethylocta-1,7-diene-2,6-diol

3,7-dimethylocta-1,7-diene-2,6-diol (PubChem CID 87515747) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3,7-dimethylocta-1,7-diene-2,6-diol.

Molecular Properties

Compound Name3,7-dimethylocta-1,7-diene-2,6-diol
PubChem CID87515747
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3,7-dimethylocta-1,7-diene-2,6-diol
SMILESC=C(O)C(C)CCC(O)C(=C)C
InChIInChI=1S/C10H18O2/c1-7(2)10(12)6-5-8(3)9(4)11/h8,10-12H,1,4-6H2,2-3H3
InChIKeyHREORQHJQZZSSC-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethylocta-1,7-diene-2,6-diol?
The IUPAC name of 3,7-dimethylocta-1,7-diene-2,6-diol (CID 87515747) is 3,7-dimethylocta-1,7-diene-2,6-diol.
What is the SMILES notation for 3,7-dimethylocta-1,7-diene-2,6-diol?
The canonical SMILES for 3,7-dimethylocta-1,7-diene-2,6-diol is C=C(O)C(C)CCC(O)C(=C)C.
What is the InChIKey of 3,7-dimethylocta-1,7-diene-2,6-diol?
The InChIKey is HREORQHJQZZSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-7(2)10(12)6-5-8(3)9(4)11/h8,10-12H,1,4-6H2,2-3H3.
What are the key properties of 3,7-dimethylocta-1,7-diene-2,6-diol?
3,7-dimethylocta-1,7-diene-2,6-diol has a molecular weight of 170.25 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethylocta-1,7-diene-2,6-diol is sourced from PubChem (CID 87515747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).