1-methoxy-3-methylbut-1-yne

C6H10O — CID 11051585

IUPAC1-methoxy-3-methylbut-1-yne
SMILESCOC#CC(C)C
InChIInChI=1S/C6H10O/c1-6(2)4-5-7-3/h6H,1-3H3
InChIKeyUSESYFYZANCBGX-UHFFFAOYSA-N
MW98.14 g/mol
LogP1.25
Rot. Bonds

About 1-methoxy-3-methylbut-1-yne

1-methoxy-3-methylbut-1-yne (PubChem CID 11051585) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 1-methoxy-3-methylbut-1-yne.

Molecular Properties

Compound Name1-methoxy-3-methylbut-1-yne
PubChem CID11051585
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name1-methoxy-3-methylbut-1-yne
SMILESCOC#CC(C)C
InChIInChI=1S/C6H10O/c1-6(2)4-5-7-3/h6H,1-3H3
InChIKeyUSESYFYZANCBGX-UHFFFAOYSA-N
XLogP1.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxy-3-methylbut-1-yne
CID 20644245
1-Ethoxy-1-butyne
CID 5324105
1-Methoxypent-1-yne
CID 351718
1-Butyne, 1-methoxy-
CID 10898639
1-Butyne, 1-ethoxy-3-methyl-
CID 11029794
1-Methoxy-4-methylpent-1-yne
CID 12564138
1-Ethoxypent-1-yne
CID 14380469
1-Methoxyhex-2-yne
CID 20134602
4-Methoxy-4-methylpent-2-yne
CID 20680013
1-Butynyl propyl ether
CID 24976350
1-Methoxyhex-1-yne
CID 86209931
1-Methoxyhex-3-yne
CID 134855974

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methylbut-1-yne?
The IUPAC name of 1-methoxy-3-methylbut-1-yne (CID 11051585) is 1-methoxy-3-methylbut-1-yne.
What is the SMILES notation for 1-methoxy-3-methylbut-1-yne?
The canonical SMILES for 1-methoxy-3-methylbut-1-yne is COC#CC(C)C.
What is the InChIKey of 1-methoxy-3-methylbut-1-yne?
The InChIKey is USESYFYZANCBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-6(2)4-5-7-3/h6H,1-3H3.
What are the key properties of 1-methoxy-3-methylbut-1-yne?
1-methoxy-3-methylbut-1-yne has a molecular weight of 98.14 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methylbut-1-yne is sourced from PubChem (CID 11051585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).