5-methyl-4-methylidenehex-1-yn-3-ol

C8H12O — CID 54444448

IUPAC5-methyl-4-methylidenehex-1-yn-3-ol
SMILESC#CC(O)C(=C)C(C)C
InChIInChI=1S/C8H12O/c1-5-8(9)7(4)6(2)3/h1,6,8-9H,4H2,2-3H3
InChIKeyWQMYNNNAXQJWTI-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.19
Rot. Bonds2

About 5-methyl-4-methylidenehex-1-yn-3-ol

5-methyl-4-methylidenehex-1-yn-3-ol (PubChem CID 54444448) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 5-methyl-4-methylidenehex-1-yn-3-ol.

Molecular Properties

Compound Name5-methyl-4-methylidenehex-1-yn-3-ol
PubChem CID54444448
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name5-methyl-4-methylidenehex-1-yn-3-ol
SMILESC#CC(O)C(=C)C(C)C
InChIInChI=1S/C8H12O/c1-5-8(9)7(4)6(2)3/h1,6,8-9H,4H2,2-3H3
InChIKeyWQMYNNNAXQJWTI-UHFFFAOYSA-N
XLogP1.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-methylidenehex-1-yn-3-ol?
The IUPAC name of 5-methyl-4-methylidenehex-1-yn-3-ol (CID 54444448) is 5-methyl-4-methylidenehex-1-yn-3-ol.
What is the SMILES notation for 5-methyl-4-methylidenehex-1-yn-3-ol?
The canonical SMILES for 5-methyl-4-methylidenehex-1-yn-3-ol is C#CC(O)C(=C)C(C)C.
What is the InChIKey of 5-methyl-4-methylidenehex-1-yn-3-ol?
The InChIKey is WQMYNNNAXQJWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-5-8(9)7(4)6(2)3/h1,6,8-9H,4H2,2-3H3.
What are the key properties of 5-methyl-4-methylidenehex-1-yn-3-ol?
5-methyl-4-methylidenehex-1-yn-3-ol has a molecular weight of 124.18 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-methylidenehex-1-yn-3-ol is sourced from PubChem (CID 54444448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).