5-methyl-4-methylidenehepta-1,6-diyn-3-ol

C9H10O — CID 88810245

IUPAC5-methyl-4-methylidenehepta-1,6-diyn-3-ol
SMILESC#CC(C)C(=C)C(O)C#C
InChIInChI=1S/C9H10O/c1-5-7(3)8(4)9(10)6-2/h1-2,7,9-10H,4H2,3H3
InChIKeyNZLIKJGFLULPNT-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.81
Rot. Bonds2

About 5-methyl-4-methylidenehepta-1,6-diyn-3-ol

5-methyl-4-methylidenehepta-1,6-diyn-3-ol (PubChem CID 88810245) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is 5-methyl-4-methylidenehepta-1,6-diyn-3-ol.

Molecular Properties

Compound Name5-methyl-4-methylidenehepta-1,6-diyn-3-ol
PubChem CID88810245
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name5-methyl-4-methylidenehepta-1,6-diyn-3-ol
SMILESC#CC(C)C(=C)C(O)C#C
InChIInChI=1S/C9H10O/c1-5-7(3)8(4)9(10)6-2/h1-2,7,9-10H,4H2,3H3
InChIKeyNZLIKJGFLULPNT-UHFFFAOYSA-N
XLogP0.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.81
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-methylidenehepta-1,6-diyn-3-ol?
The IUPAC name of 5-methyl-4-methylidenehepta-1,6-diyn-3-ol (CID 88810245) is 5-methyl-4-methylidenehepta-1,6-diyn-3-ol.
What is the SMILES notation for 5-methyl-4-methylidenehepta-1,6-diyn-3-ol?
The canonical SMILES for 5-methyl-4-methylidenehepta-1,6-diyn-3-ol is C#CC(C)C(=C)C(O)C#C.
What is the InChIKey of 5-methyl-4-methylidenehepta-1,6-diyn-3-ol?
The InChIKey is NZLIKJGFLULPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O/c1-5-7(3)8(4)9(10)6-2/h1-2,7,9-10H,4H2,3H3.
What are the key properties of 5-methyl-4-methylidenehepta-1,6-diyn-3-ol?
5-methyl-4-methylidenehepta-1,6-diyn-3-ol has a molecular weight of 134.18 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-methylidenehepta-1,6-diyn-3-ol is sourced from PubChem (CID 88810245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).