What is the molecular formula of 4-Methyl-1-heptyn-3-ol?
The molecular formula is C8H14O.
What is the molecular weight of 4-Methyl-1-heptyn-3-ol?
The molecular weight is 126.20 g/mol.
What is the IUPAC name of 4-Methyl-1-heptyn-3-ol?
The IUPAC name is 4-methylhept-1-yn-3-ol.
What is the InChI of 4-Methyl-1-heptyn-3-ol?
The InChI is InChI=1S/C8H14O/c1-4-6-7(3)8(9)5-2/h2,7-9H,4,6H2,1,3H3.
What is the InChIKey of 4-Methyl-1-heptyn-3-ol?
The InChIKey is WONUPNLSAKXVSN-UHFFFAOYSA-N.
What is the canonical SMILES of 4-Methyl-1-heptyn-3-ol?
The canonical SMILES is CCCC(C)C(C#C)O.
What is the CAS number of 4-Methyl-1-heptyn-3-ol?
The CAS number is 87777-46-6.
What is the XLogP3-AA value of 4-Methyl-1-heptyn-3-ol?
The XLogP3-AA value is 1.9.
What is the hydrogen bond donor count of 4-Methyl-1-heptyn-3-ol?
The hydrogen bond donor count is 1.
Is 4-Methyl-1-heptyn-3-ol a canonicalized compound?
Yes, it is a canonicalized compound.