2,5-dimethylhex-3-yn-2-ol;4-methylpent-2-yn-1-ol

C14H24O2 — CID 157228272

IUPAC2,5-dimethylhex-3-yn-2-ol;4-methylpent-2-yn-1-ol
SMILESCC(C)C#CC(C)(C)O.CC(C)C#CCO
InChIInChI=1S/C8H14O.C6H10O/c1-7(2)5-6-8(3,4)9;1-6(2)4-3-5-7/h7,9H,1-4H3;6-7H,5H2,1-2H3
InChIKeyATUOBMJRQQNRLR-UHFFFAOYSA-N
MW224.34 g/mol
LogP2.05
Rot. Bonds

About 2,5-dimethylhex-3-yn-2-ol;4-methylpent-2-yn-1-ol

2,5-dimethylhex-3-yn-2-ol;4-methylpent-2-yn-1-ol (PubChem CID 157228272) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2,5-dimethylhex-3-yn-2-ol;4-methylpent-2-yn-1-ol.

Molecular Properties

Compound Name2,5-dimethylhex-3-yn-2-ol;4-methylpent-2-yn-1-ol
PubChem CID157228272
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2,5-dimethylhex-3-yn-2-ol;4-methylpent-2-yn-1-ol
SMILESCC(C)C#CC(C)(C)O.CC(C)C#CCO
InChIInChI=1S/C8H14O.C6H10O/c1-7(2)5-6-8(3,4)9;1-6(2)4-3-5-7/h7,9H,1-4H3;6-7H,5H2,1-2H3
InChIKeyATUOBMJRQQNRLR-UHFFFAOYSA-N
XLogP2.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethylhex-3-yn-2-ol;1-methoxy-4-methylpent-2-yne;4-methylpent-2-yn-1-ol
CID 158320371
2,2,5-trimethylhex-3-yn-1-ol
CID 176628997
2,7-dimethyloct-3-yne-2,5-diol
CID 102249503
4-aminopent-2-yn-1-ol
CID 22024864
3-ethyl-2,6-dimethylhept-4-yn-3-ol
CID 88969686
2-methylpent-3-yne-1,2,5-triol
CID 71361893
2-methylhept-3-yn-2-ol
CID 566135
(4R)-4-methylhex-2-yne-1,4-diol
CID 98399513
4,4-dimethylpent-2-yn-1-ol;2,2-dimethylpropanenitrile
CID 158218552
ethyl 2-hydroxy-2,5-dimethylhex-3-ynoate
CID 18672296
4-methylhept-2-yne-1,4-diol
CID 14416471
5-ethylsulfanyl-2,2-dimethylhex-3-yne
CID 102373655

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylhex-3-yn-2-ol;4-methylpent-2-yn-1-ol?
The IUPAC name of 2,5-dimethylhex-3-yn-2-ol;4-methylpent-2-yn-1-ol (CID 157228272) is 2,5-dimethylhex-3-yn-2-ol;4-methylpent-2-yn-1-ol.
What is the SMILES notation for 2,5-dimethylhex-3-yn-2-ol;4-methylpent-2-yn-1-ol?
The canonical SMILES for 2,5-dimethylhex-3-yn-2-ol;4-methylpent-2-yn-1-ol is CC(C)C#CC(C)(C)O.CC(C)C#CCO.
What is the InChIKey of 2,5-dimethylhex-3-yn-2-ol;4-methylpent-2-yn-1-ol?
The InChIKey is ATUOBMJRQQNRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O.C6H10O/c1-7(2)5-6-8(3,4)9;1-6(2)4-3-5-7/h7,9H,1-4H3;6-7H,5H2,1-2H3.
What are the key properties of 2,5-dimethylhex-3-yn-2-ol;4-methylpent-2-yn-1-ol?
2,5-dimethylhex-3-yn-2-ol;4-methylpent-2-yn-1-ol has a molecular weight of 224.34 g/mol, XLogP of 2.05, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylhex-3-yn-2-ol;4-methylpent-2-yn-1-ol is sourced from PubChem (CID 157228272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).