4-methyl-1-prop-2-enoxypent-2-yne

C9H14O — CID 57470526

IUPAC4-methyl-1-prop-2-enoxypent-2-yne
SMILESC=CCOCC#CC(C)C
InChIInChI=1S/C9H14O/c1-4-7-10-8-5-6-9(2)3/h4,9H,1,7-8H2,2-3H3
InChIKeyXGEGCKBIRVQFAU-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.85
Rot. Bonds3

About 4-methyl-1-prop-2-enoxypent-2-yne

4-methyl-1-prop-2-enoxypent-2-yne (PubChem CID 57470526) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 4-methyl-1-prop-2-enoxypent-2-yne.

Molecular Properties

Compound Name4-methyl-1-prop-2-enoxypent-2-yne
PubChem CID57470526
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name4-methyl-1-prop-2-enoxypent-2-yne
SMILESC=CCOCC#CC(C)C
InChIInChI=1S/C9H14O/c1-4-7-10-8-5-6-9(2)3/h4,9H,1,7-8H2,2-3H3
InChIKeyXGEGCKBIRVQFAU-UHFFFAOYSA-N
XLogP1.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-prop-2-enoxybut-2-yne
CID 10511841
7-methyloct-1-en-5-yne
CID 174059005
1-[2-(2-methoxyethoxy)ethoxy]-4-methylpent-2-yne
CID 165382525
ethane;N-methyl-2-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 168959349
ethane;N-ethyl-2-(4-methylpent-2-ynoxy)ethanamine
CID 170709372
2,5-bis(prop-2-enoxy)hex-3-yne
CID 54201306
N-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethyl]propan-2-amine;molecular hydrogen
CID 166554710
tris(prop-1-ene);3-prop-2-enoxyprop-1-ene
CID 175414947
3-methyl-1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane
CID 58115661
Potassium allyloxide
CID 87828396
methane;1-prop-2-enoxypropane
CID 157267338
2-methylsulfanyl-1-prop-2-enoxypropane
CID 89197901

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-prop-2-enoxypent-2-yne?
The IUPAC name of 4-methyl-1-prop-2-enoxypent-2-yne (CID 57470526) is 4-methyl-1-prop-2-enoxypent-2-yne.
What is the SMILES notation for 4-methyl-1-prop-2-enoxypent-2-yne?
The canonical SMILES for 4-methyl-1-prop-2-enoxypent-2-yne is C=CCOCC#CC(C)C.
What is the InChIKey of 4-methyl-1-prop-2-enoxypent-2-yne?
The InChIKey is XGEGCKBIRVQFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-4-7-10-8-5-6-9(2)3/h4,9H,1,7-8H2,2-3H3.
What are the key properties of 4-methyl-1-prop-2-enoxypent-2-yne?
4-methyl-1-prop-2-enoxypent-2-yne has a molecular weight of 138.21 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-prop-2-enoxypent-2-yne is sourced from PubChem (CID 57470526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).