2,3-dimethylnon-4-yn-2-ol

C11H20O — CID 11073825

IUPAC2,3-dimethylnon-4-yn-2-ol
SMILESCCCCC#CC(C)C(C)(C)O
InChIInChI=1S/C11H20O/c1-5-6-7-8-9-10(2)11(3,4)12/h10,12H,5-7H2,1-4H3
InChIKeyRXSQRXCXLAHFJQ-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.59
Rot. Bonds3

About 2,3-dimethylnon-4-yn-2-ol

2,3-dimethylnon-4-yn-2-ol (PubChem CID 11073825) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2,3-dimethylnon-4-yn-2-ol.

Molecular Properties

Compound Name2,3-dimethylnon-4-yn-2-ol
PubChem CID11073825
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2,3-dimethylnon-4-yn-2-ol
SMILESCCCCC#CC(C)C(C)(C)O
InChIInChI=1S/C11H20O/c1-5-6-7-8-9-10(2)11(3,4)12/h10,12H,5-7H2,1-4H3
InChIKeyRXSQRXCXLAHFJQ-UHFFFAOYSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylnon-4-yn-2-ol?
The IUPAC name of 2,3-dimethylnon-4-yn-2-ol (CID 11073825) is 2,3-dimethylnon-4-yn-2-ol.
What is the SMILES notation for 2,3-dimethylnon-4-yn-2-ol?
The canonical SMILES for 2,3-dimethylnon-4-yn-2-ol is CCCCC#CC(C)C(C)(C)O.
What is the InChIKey of 2,3-dimethylnon-4-yn-2-ol?
The InChIKey is RXSQRXCXLAHFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-5-6-7-8-9-10(2)11(3,4)12/h10,12H,5-7H2,1-4H3.
What are the key properties of 2,3-dimethylnon-4-yn-2-ol?
2,3-dimethylnon-4-yn-2-ol has a molecular weight of 168.28 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylnon-4-yn-2-ol is sourced from PubChem (CID 11073825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).