5-methoxy-2-methylpent-1-en-3-yne

C7H10O — CID 12546103

IUPAC5-methoxy-2-methylpent-1-en-3-yne
SMILESC=C(C)C#CCOC
InChIInChI=1S/C7H10O/c1-7(2)5-4-6-8-3/h1,6H2,2-3H3
InChIKeyICWXJFLOQFGEAQ-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.21
Rot. Bonds1

About 5-methoxy-2-methylpent-1-en-3-yne

5-methoxy-2-methylpent-1-en-3-yne (PubChem CID 12546103) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 5-methoxy-2-methylpent-1-en-3-yne.

Molecular Properties

Compound Name5-methoxy-2-methylpent-1-en-3-yne
PubChem CID12546103
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name5-methoxy-2-methylpent-1-en-3-yne
SMILESC=C(C)C#CCOC
InChIInChI=1S/C7H10O/c1-7(2)5-4-6-8-3/h1,6H2,2-3H3
InChIKeyICWXJFLOQFGEAQ-UHFFFAOYSA-N
XLogP1.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.21
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-Methyl-4-penten-2-yn-1-ol
CID 10887835
2-Methyl-1-prop-2-ynoxyprop-1-ene
CID 11240449
4-Methyl-pent-4-en-2-yn-1-yl prop-2-yn-1-yl ether
CID 15555097
2-(3-Methylbut-3-en-1-yn-1-yl)oxirane
CID 71324785
1-Methoxy-2-methylpent-1-en-3-yne
CID 71446230
1-(2-Methylprop-1-enyloxy)but-2-yne
CID 125478522
1-(2-Methylprop-1-enyloxy)pent-2-yne
CID 125478602
Lithium 5-methoxy-2-methylpent-1-en-3-yne
CID 134906230
(Z)-1-methoxy-2-methylbut-1-en-3-yne
CID 139265704
4-Methoxy-2-(methoxymethyl)but-1-en-3-yne
CID 20240586
2-Methyl-3-prop-1-ynoxyprop-1-ene
CID 87167948
4-Ethoxy-2-methylbut-1-en-3-yne
CID 159473954

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methylpent-1-en-3-yne?
The IUPAC name of 5-methoxy-2-methylpent-1-en-3-yne (CID 12546103) is 5-methoxy-2-methylpent-1-en-3-yne.
What is the SMILES notation for 5-methoxy-2-methylpent-1-en-3-yne?
The canonical SMILES for 5-methoxy-2-methylpent-1-en-3-yne is C=C(C)C#CCOC.
What is the InChIKey of 5-methoxy-2-methylpent-1-en-3-yne?
The InChIKey is ICWXJFLOQFGEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-7(2)5-4-6-8-3/h1,6H2,2-3H3.
What are the key properties of 5-methoxy-2-methylpent-1-en-3-yne?
5-methoxy-2-methylpent-1-en-3-yne has a molecular weight of 110.16 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methylpent-1-en-3-yne is sourced from PubChem (CID 12546103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).