(2E,6E)-2,6-dimethylocta-2,6-diene-1,8-diol

C10H18O2 — CID 5363397

IUPAC(2E,6E)-2,6-dimethylocta-2,6-diene-1,8-diol
SMILESC/C(=C\CC/C(C)=C/CO)CO
InChIInChI=1S/C10H18O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-6,11-12H,3-4,7-8H2,1-2H3/b9-6+,10-5+
InChIKeyPREUOUJFXMCMSJ-TXFIJWAUSA-N
MW170.25 g/mol
LogP1.64
Rot. Bonds5

About (2E,6E)-2,6-dimethylocta-2,6-diene-1,8-diol

(2E,6E)-2,6-dimethylocta-2,6-diene-1,8-diol (PubChem CID 5363397) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2E,6E)-2,6-dimethylocta-2,6-diene-1,8-diol.

Molecular Properties

Compound Name(2E,6E)-2,6-dimethylocta-2,6-diene-1,8-diol
PubChem CID5363397
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2E,6E)-2,6-dimethylocta-2,6-diene-1,8-diol
SMILESC/C(=C\CC/C(C)=C/CO)CO
InChIInChI=1S/C10H18O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-6,11-12H,3-4,7-8H2,1-2H3/b9-6+,10-5+
InChIKeyPREUOUJFXMCMSJ-TXFIJWAUSA-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 (2E,6E)-2,6-dimethylocta-2,6-diene-1,8-diol?
The IUPAC name of (2E,6E)-2,6-dimethylocta-2,6-diene-1,8-diol (CID 5363397) is (2E,6E)-2,6-dimethylocta-2,6-diene-1,8-diol.
What is the SMILES notation for (2E,6E)-2,6-dimethylocta-2,6-diene-1,8-diol?
The canonical SMILES for (2E,6E)-2,6-dimethylocta-2,6-diene-1,8-diol is C/C(=C\CC/C(C)=C/CO)CO.
What is the InChIKey of (2E,6E)-2,6-dimethylocta-2,6-diene-1,8-diol?
The InChIKey is PREUOUJFXMCMSJ-TXFIJWAUSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-6,11-12H,3-4,7-8H2,1-2H3/b9-6+,10-5+.
What are the key properties of (2E,6E)-2,6-dimethylocta-2,6-diene-1,8-diol?
(2E,6E)-2,6-dimethylocta-2,6-diene-1,8-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 (2E,6E)-2,6-dimethylocta-2,6-diene-1,8-diol is sourced from PubChem (CID 5363397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).