2,4-dimethyloctan-4-ol

C10H22O — CID 568123

IUPAC2,4-dimethyloctan-4-ol
SMILESCCCCC(C)(O)CC(C)C
InChIInChI=1S/C10H22O/c1-5-6-7-10(4,11)8-9(2)3/h9,11H,5-8H2,1-4H3
InChIKeyVRFMFHBPJUSGFK-UHFFFAOYSA-N
MW158.28 g/mol
LogP2.97
Rot. Bonds5

About 2,4-dimethyloctan-4-ol

2,4-dimethyloctan-4-ol (PubChem CID 568123) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 2,4-dimethyloctan-4-ol.

Molecular Properties

Compound Name2,4-dimethyloctan-4-ol
PubChem CID568123
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name2,4-dimethyloctan-4-ol
SMILESCCCCC(C)(O)CC(C)C
InChIInChI=1S/C10H22O/c1-5-6-7-10(4,11)8-9(2)3/h9,11H,5-8H2,1-4H3
InChIKeyVRFMFHBPJUSGFK-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyloctan-4-ol?
The IUPAC name of 2,4-dimethyloctan-4-ol (CID 568123) is 2,4-dimethyloctan-4-ol.
What is the SMILES notation for 2,4-dimethyloctan-4-ol?
The canonical SMILES for 2,4-dimethyloctan-4-ol is CCCCC(C)(O)CC(C)C.
What is the InChIKey of 2,4-dimethyloctan-4-ol?
The InChIKey is VRFMFHBPJUSGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-5-6-7-10(4,11)8-9(2)3/h9,11H,5-8H2,1-4H3.
What are the key properties of 2,4-dimethyloctan-4-ol?
2,4-dimethyloctan-4-ol has a molecular weight of 158.28 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyloctan-4-ol is sourced from PubChem (CID 568123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).