2-methyl-3-methylideneoct-4-yn-2-ol

C10H16O — CID 15584284

IUPAC2-methyl-3-methylideneoct-4-yn-2-ol
SMILESC=C(C#CCCC)C(C)(C)O
InChIInChI=1S/C10H16O/c1-5-6-7-8-9(2)10(3,4)11/h11H,2,5-6H2,1,3-4H3
InChIKeyZKIVEIRHYIFBGZ-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.12
Rot. Bonds2

About 2-methyl-3-methylideneoct-4-yn-2-ol

2-methyl-3-methylideneoct-4-yn-2-ol (PubChem CID 15584284) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-methyl-3-methylideneoct-4-yn-2-ol.

Molecular Properties

Compound Name2-methyl-3-methylideneoct-4-yn-2-ol
PubChem CID15584284
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-methyl-3-methylideneoct-4-yn-2-ol
SMILESC=C(C#CCCC)C(C)(C)O
InChIInChI=1S/C10H16O/c1-5-6-7-8-9(2)10(3,4)11/h11H,2,5-6H2,1,3-4H3
InChIKeyZKIVEIRHYIFBGZ-UHFFFAOYSA-N
XLogP2.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylideneoct-4-yn-2-ol?
The IUPAC name of 2-methyl-3-methylideneoct-4-yn-2-ol (CID 15584284) is 2-methyl-3-methylideneoct-4-yn-2-ol.
What is the SMILES notation for 2-methyl-3-methylideneoct-4-yn-2-ol?
The canonical SMILES for 2-methyl-3-methylideneoct-4-yn-2-ol is C=C(C#CCCC)C(C)(C)O.
What is the InChIKey of 2-methyl-3-methylideneoct-4-yn-2-ol?
The InChIKey is ZKIVEIRHYIFBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-5-6-7-8-9(2)10(3,4)11/h11H,2,5-6H2,1,3-4H3.
What are the key properties of 2-methyl-3-methylideneoct-4-yn-2-ol?
2-methyl-3-methylideneoct-4-yn-2-ol has a molecular weight of 152.24 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylideneoct-4-yn-2-ol is sourced from PubChem (CID 15584284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).