5,5-dimethylhex-1-yn-1-ol

C8H14O — CID 175665296

IUPAC5,5-dimethylhex-1-yn-1-ol
SMILESCC(C)(C)CCC#CO
InChIInChI=1S/C8H14O/c1-8(2,3)6-4-5-7-9/h9H,4,6H2,1-3H3
InChIKeyWZRDQWZBDOZIOA-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.15
Rot. Bonds1

About 5,5-dimethylhex-1-yn-1-ol

5,5-dimethylhex-1-yn-1-ol (PubChem CID 175665296) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 5,5-dimethylhex-1-yn-1-ol.

Molecular Properties

Compound Name5,5-dimethylhex-1-yn-1-ol
PubChem CID175665296
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name5,5-dimethylhex-1-yn-1-ol
SMILESCC(C)(C)CCC#CO
InChIInChI=1S/C8H14O/c1-8(2,3)6-4-5-7-9/h9H,4,6H2,1-3H3
InChIKeyWZRDQWZBDOZIOA-UHFFFAOYSA-N
XLogP2.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3-Dimethylhex-1-yn-1-ol
CID 18544814
4,4-Dimethylpent-1-yn-1-ol
CID 18917145
3,5-Dimethylhex-1-yn-1-ol
CID 18956487
3,3-Dimethylpent-1-yn-1-ol
CID 87544564
3,3-Dimethylhex-1-yn-1-ol;hydrate
CID 139751182
3,3-Diethylhex-1-yn-1-ol
CID 140296216
4,4,6,6-Tetramethylhept-2-yn-1-ol
CID 145209005
3-Methyl-3-propylhex-1-yn-1-ol
CID 151701950
3,3-Dimethylhept-1-yn-1-ol
CID 153794931
7,7-Dimethyloct-1-yn-1-ol
CID 168232622
Potassium;3,3-dimethylhex-1-yn-1-ol;hydroxide
CID 172696283
3,3-Dimethyloct-1-yn-1-ol
CID 175149608

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylhex-1-yn-1-ol?
The IUPAC name of 5,5-dimethylhex-1-yn-1-ol (CID 175665296) is 5,5-dimethylhex-1-yn-1-ol.
What is the SMILES notation for 5,5-dimethylhex-1-yn-1-ol?
The canonical SMILES for 5,5-dimethylhex-1-yn-1-ol is CC(C)(C)CCC#CO.
What is the InChIKey of 5,5-dimethylhex-1-yn-1-ol?
The InChIKey is WZRDQWZBDOZIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-8(2,3)6-4-5-7-9/h9H,4,6H2,1-3H3.
What are the key properties of 5,5-dimethylhex-1-yn-1-ol?
5,5-dimethylhex-1-yn-1-ol has a molecular weight of 126.20 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylhex-1-yn-1-ol is sourced from PubChem (CID 175665296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).