(5E)-2,6-dimethylocta-1,5,7-trien-3-ol

C10H16O — CID 5362854

IUPAC(5E)-2,6-dimethylocta-1,5,7-trien-3-ol
SMILESC=C/C(C)=C/CC(O)C(=C)C
InChIInChI=1S/C10H16O/c1-5-9(4)6-7-10(11)8(2)3/h5-6,10-11H,1-2,7H2,3-4H3/b9-6+
InChIKeyTYDDWHVJHGIJCW-RMKNXTFCSA-N
MW152.24 g/mol
LogP2.45
Rot. Bonds4

About (5E)-2,6-dimethylocta-1,5,7-trien-3-ol

(5E)-2,6-dimethylocta-1,5,7-trien-3-ol (PubChem CID 5362854) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (5E)-2,6-dimethylocta-1,5,7-trien-3-ol.

Molecular Properties

Compound Name(5E)-2,6-dimethylocta-1,5,7-trien-3-ol
PubChem CID5362854
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(5E)-2,6-dimethylocta-1,5,7-trien-3-ol
SMILESC=C/C(C)=C/CC(O)C(=C)C
InChIInChI=1S/C10H16O/c1-5-9(4)6-7-10(11)8(2)3/h5-6,10-11H,1-2,7H2,3-4H3/b9-6+
InChIKeyTYDDWHVJHGIJCW-RMKNXTFCSA-N
XLogP2.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-2,6-dimethylocta-1,5,7-trien-3-ol?
The IUPAC name of (5E)-2,6-dimethylocta-1,5,7-trien-3-ol (CID 5362854) is (5E)-2,6-dimethylocta-1,5,7-trien-3-ol.
What is the SMILES notation for (5E)-2,6-dimethylocta-1,5,7-trien-3-ol?
The canonical SMILES for (5E)-2,6-dimethylocta-1,5,7-trien-3-ol is C=C/C(C)=C/CC(O)C(=C)C.
What is the InChIKey of (5E)-2,6-dimethylocta-1,5,7-trien-3-ol?
The InChIKey is TYDDWHVJHGIJCW-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H16O/c1-5-9(4)6-7-10(11)8(2)3/h5-6,10-11H,1-2,7H2,3-4H3/b9-6+.
What are the key properties of (5E)-2,6-dimethylocta-1,5,7-trien-3-ol?
(5E)-2,6-dimethylocta-1,5,7-trien-3-ol has a molecular weight of 152.24 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2,6-dimethylocta-1,5,7-trien-3-ol is sourced from PubChem (CID 5362854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).