4,6-dimethyloct-3-en-2-ol

C10H20O — CID 91470833

IUPAC4,6-dimethyloct-3-en-2-ol
SMILESCCC(C)CC(C)=CC(C)O
InChIInChI=1S/C10H20O/c1-5-8(2)6-9(3)7-10(4)11/h7-8,10-11H,5-6H2,1-4H3
InChIKeyQUIRXTUSFUDWHF-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.75
Rot. Bonds4

About 4,6-dimethyloct-3-en-2-ol

4,6-dimethyloct-3-en-2-ol (PubChem CID 91470833) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 4,6-dimethyloct-3-en-2-ol.

Molecular Properties

Compound Name4,6-dimethyloct-3-en-2-ol
PubChem CID91470833
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name4,6-dimethyloct-3-en-2-ol
SMILESCCC(C)CC(C)=CC(C)O
InChIInChI=1S/C10H20O/c1-5-8(2)6-9(3)7-10(4)11/h7-8,10-11H,5-6H2,1-4H3
InChIKeyQUIRXTUSFUDWHF-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4,6-dimethyloct-3-en-2-ol?
The IUPAC name of 4,6-dimethyloct-3-en-2-ol (CID 91470833) is 4,6-dimethyloct-3-en-2-ol.
What is the SMILES notation for 4,6-dimethyloct-3-en-2-ol?
The canonical SMILES for 4,6-dimethyloct-3-en-2-ol is CCC(C)CC(C)=CC(C)O.
What is the InChIKey of 4,6-dimethyloct-3-en-2-ol?
The InChIKey is QUIRXTUSFUDWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-5-8(2)6-9(3)7-10(4)11/h7-8,10-11H,5-6H2,1-4H3.
What are the key properties of 4,6-dimethyloct-3-en-2-ol?
4,6-dimethyloct-3-en-2-ol has a molecular weight of 156.27 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyloct-3-en-2-ol is sourced from PubChem (CID 91470833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).