[(Z)-3-methylpent-2-en-4-ynyl] acetate

C8H10O2 — CID 5324879

IUPAC[(Z)-3-methylpent-2-en-4-ynyl] acetate
SMILESC#C/C(C)=C\COC(C)=O
InChIInChI=1S/C8H10O2/c1-4-7(2)5-6-10-8(3)9/h1,5H,6H2,2-3H3/b7-5-
InChIKeyUQQWSFMJPNYWKJ-ALCCZGGFSA-N
MW138.17 g/mol
LogP1.13
Rot. Bonds2

About [(Z)-3-methylpent-2-en-4-ynyl] acetate

[(Z)-3-methylpent-2-en-4-ynyl] acetate (PubChem CID 5324879) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is [(Z)-3-methylpent-2-en-4-ynyl] acetate.

Molecular Properties

Compound Name[(Z)-3-methylpent-2-en-4-ynyl] acetate
PubChem CID5324879
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name[(Z)-3-methylpent-2-en-4-ynyl] acetate
SMILESC#C/C(C)=C\COC(C)=O
InChIInChI=1S/C8H10O2/c1-4-7(2)5-6-10-8(3)9/h1,5H,6H2,2-3H3/b7-5-
InChIKeyUQQWSFMJPNYWKJ-ALCCZGGFSA-N
XLogP1.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-3-methylpent-2-en-4-ynyl] acetate?
The IUPAC name of [(Z)-3-methylpent-2-en-4-ynyl] acetate (CID 5324879) is [(Z)-3-methylpent-2-en-4-ynyl] acetate.
What is the SMILES notation for [(Z)-3-methylpent-2-en-4-ynyl] acetate?
The canonical SMILES for [(Z)-3-methylpent-2-en-4-ynyl] acetate is C#C/C(C)=C\COC(C)=O.
What is the InChIKey of [(Z)-3-methylpent-2-en-4-ynyl] acetate?
The InChIKey is UQQWSFMJPNYWKJ-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H10O2/c1-4-7(2)5-6-10-8(3)9/h1,5H,6H2,2-3H3/b7-5-.
What are the key properties of [(Z)-3-methylpent-2-en-4-ynyl] acetate?
[(Z)-3-methylpent-2-en-4-ynyl] acetate has a molecular weight of 138.17 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-methylpent-2-en-4-ynyl] acetate is sourced from PubChem (CID 5324879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).