3,3-dimethylnon-8-yn-4-ol

C11H20O — CID 115831812

IUPAC3,3-dimethylnon-8-yn-4-ol
SMILESC#CCCCC(O)C(C)(C)CC
InChIInChI=1S/C11H20O/c1-5-7-8-9-10(12)11(3,4)6-2/h1,10,12H,6-9H2,2-4H3
InChIKeyXRJXFXFBDSVFNI-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.59
Rot. Bonds5

About 3,3-dimethylnon-8-yn-4-ol

3,3-dimethylnon-8-yn-4-ol (PubChem CID 115831812) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3,3-dimethylnon-8-yn-4-ol.

Molecular Properties

Compound Name3,3-dimethylnon-8-yn-4-ol
PubChem CID115831812
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3,3-dimethylnon-8-yn-4-ol
SMILESC#CCCCC(O)C(C)(C)CC
InChIInChI=1S/C11H20O/c1-5-7-8-9-10(12)11(3,4)6-2/h1,10,12H,6-9H2,2-4H3
InChIKeyXRJXFXFBDSVFNI-UHFFFAOYSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N,3,3-trimethylnon-8-yn-4-amine
CID 105033729
8,8,8-trifluoro-3,3-dimethyloctan-4-ol
CID 115828379
3-methyloct-7-yne-3,4-diol
CID 103448564
3-ethoxy-3-ethyloct-7-yn-4-ol
CID 116752445
2-methoxy-2-methylhept-6-yn-3-ol
CID 79197065
3-methyl-3-piperidin-1-yloct-7-yn-4-ol
CID 79065810
dodec-1-yne-5,8-diol
CID 87593549
6-ethyl-3,3-dimethyldecan-4-ol
CID 114981382
dodec-11-yn-2-ol
CID 14044485
2,2-dimethylheptane-1,3-diol
CID 57266054
non-8-yn-2-ol
CID 11275050
2-ethylhept-6-ynenitrile
CID 25268245

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylnon-8-yn-4-ol?
The IUPAC name of 3,3-dimethylnon-8-yn-4-ol (CID 115831812) is 3,3-dimethylnon-8-yn-4-ol.
What is the SMILES notation for 3,3-dimethylnon-8-yn-4-ol?
The canonical SMILES for 3,3-dimethylnon-8-yn-4-ol is C#CCCCC(O)C(C)(C)CC.
What is the InChIKey of 3,3-dimethylnon-8-yn-4-ol?
The InChIKey is XRJXFXFBDSVFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-5-7-8-9-10(12)11(3,4)6-2/h1,10,12H,6-9H2,2-4H3.
What are the key properties of 3,3-dimethylnon-8-yn-4-ol?
3,3-dimethylnon-8-yn-4-ol has a molecular weight of 168.28 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylnon-8-yn-4-ol is sourced from PubChem (CID 115831812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).