(Z)-1-methoxy-2-methylbut-1-en-3-yne

C6H8O — CID 139265704

IUPAC(Z)-1-methoxy-2-methylbut-1-en-3-yne
SMILESC#C/C(C)=C\OC
InChIInChI=1S/C6H8O/c1-4-6(2)5-7-3/h1,5H,2-3H3/b6-5-
InChIKeyAHFQBSLCLSJZRS-WAYWQWQTSA-N
MW96.13 g/mol
LogP1.17
Rot. Bonds1

About (Z)-1-methoxy-2-methylbut-1-en-3-yne

(Z)-1-methoxy-2-methylbut-1-en-3-yne (PubChem CID 139265704) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is (Z)-1-methoxy-2-methylbut-1-en-3-yne.

Molecular Properties

Compound Name(Z)-1-methoxy-2-methylbut-1-en-3-yne
PubChem CID139265704
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Name(Z)-1-methoxy-2-methylbut-1-en-3-yne
SMILESC#C/C(C)=C\OC
InChIInChI=1S/C6H8O/c1-4-6(2)5-7-3/h1,5H,2-3H3/b6-5-
InChIKeyAHFQBSLCLSJZRS-WAYWQWQTSA-N
XLogP1.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-methoxy-2-methylbut-1-en-3-yne?
The IUPAC name of (Z)-1-methoxy-2-methylbut-1-en-3-yne (CID 139265704) is (Z)-1-methoxy-2-methylbut-1-en-3-yne.
What is the SMILES notation for (Z)-1-methoxy-2-methylbut-1-en-3-yne?
The canonical SMILES for (Z)-1-methoxy-2-methylbut-1-en-3-yne is C#C/C(C)=C\OC.
What is the InChIKey of (Z)-1-methoxy-2-methylbut-1-en-3-yne?
The InChIKey is AHFQBSLCLSJZRS-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H8O/c1-4-6(2)5-7-3/h1,5H,2-3H3/b6-5-.
What are the key properties of (Z)-1-methoxy-2-methylbut-1-en-3-yne?
(Z)-1-methoxy-2-methylbut-1-en-3-yne has a molecular weight of 96.13 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-methoxy-2-methylbut-1-en-3-yne is sourced from PubChem (CID 139265704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).