(3E)-2,6-dimethylocta-3,7-diene-2,6-diol

C10H18O2 — CID 5352451

IUPAC(3E)-2,6-dimethylocta-3,7-diene-2,6-diol
SMILESC=CC(C)(O)C/C=C/C(C)(C)O
InChIInChI=1S/C10H18O2/c1-5-10(4,12)8-6-7-9(2,3)11/h5-7,11-12H,1,8H2,2-4H3/b7-6+
InChIKeyQEOHJVNDENHRCH-VOTSOKGWSA-N
MW170.25 g/mol
LogP1.64
Rot. Bonds4

About (3E)-2,6-dimethylocta-3,7-diene-2,6-diol

(3E)-2,6-dimethylocta-3,7-diene-2,6-diol (PubChem CID 5352451) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (3E)-2,6-dimethylocta-3,7-diene-2,6-diol.

Molecular Properties

Compound Name(3E)-2,6-dimethylocta-3,7-diene-2,6-diol
PubChem CID5352451
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(3E)-2,6-dimethylocta-3,7-diene-2,6-diol
SMILESC=CC(C)(O)C/C=C/C(C)(C)O
InChIInChI=1S/C10H18O2/c1-5-10(4,12)8-6-7-9(2,3)11/h5-7,11-12H,1,8H2,2-4H3/b7-6+
InChIKeyQEOHJVNDENHRCH-VOTSOKGWSA-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 (3E)-2,6-dimethylocta-3,7-diene-2,6-diol?
The IUPAC name of (3E)-2,6-dimethylocta-3,7-diene-2,6-diol (CID 5352451) is (3E)-2,6-dimethylocta-3,7-diene-2,6-diol.
What is the SMILES notation for (3E)-2,6-dimethylocta-3,7-diene-2,6-diol?
The canonical SMILES for (3E)-2,6-dimethylocta-3,7-diene-2,6-diol is C=CC(C)(O)C/C=C/C(C)(C)O.
What is the InChIKey of (3E)-2,6-dimethylocta-3,7-diene-2,6-diol?
The InChIKey is QEOHJVNDENHRCH-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-10(4,12)8-6-7-9(2,3)11/h5-7,11-12H,1,8H2,2-4H3/b7-6+.
What are the key properties of (3E)-2,6-dimethylocta-3,7-diene-2,6-diol?
(3E)-2,6-dimethylocta-3,7-diene-2,6-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 (3E)-2,6-dimethylocta-3,7-diene-2,6-diol is sourced from PubChem (CID 5352451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).