2-[(Z)-2-methoxypent-2-en-4-ynoxy]oxane

C11H16O3 — CID 139265701

IUPAC2-[(Z)-2-methoxypent-2-en-4-ynoxy]oxane
SMILESC#C/C=C(/COC1CCCCO1)OC
InChIInChI=1S/C11H16O3/c1-3-6-10(12-2)9-14-11-7-4-5-8-13-11/h1,6,11H,4-5,7-9H2,2H3/b10-6-
InChIKeyDIOMRWSAQAISKJ-POHAHGRESA-N
MW196.25 g/mol
LogP1.69
Rot. Bonds4

About 2-[(Z)-2-methoxypent-2-en-4-ynoxy]oxane

2-[(Z)-2-methoxypent-2-en-4-ynoxy]oxane (PubChem CID 139265701) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[(Z)-2-methoxypent-2-en-4-ynoxy]oxane.

Molecular Properties

Compound Name2-[(Z)-2-methoxypent-2-en-4-ynoxy]oxane
PubChem CID139265701
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2-[(Z)-2-methoxypent-2-en-4-ynoxy]oxane
SMILESC#C/C=C(/COC1CCCCO1)OC
InChIInChI=1S/C11H16O3/c1-3-6-10(12-2)9-14-11-7-4-5-8-13-11/h1,6,11H,4-5,7-9H2,2H3/b10-6-
InChIKeyDIOMRWSAQAISKJ-POHAHGRESA-N
XLogP1.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-[(Z)-2-methoxypent-2-en-4-ynoxy]oxane?
The IUPAC name of 2-[(Z)-2-methoxypent-2-en-4-ynoxy]oxane (CID 139265701) is 2-[(Z)-2-methoxypent-2-en-4-ynoxy]oxane.
What is the SMILES notation for 2-[(Z)-2-methoxypent-2-en-4-ynoxy]oxane?
The canonical SMILES for 2-[(Z)-2-methoxypent-2-en-4-ynoxy]oxane is C#C/C=C(/COC1CCCCO1)OC.
What is the InChIKey of 2-[(Z)-2-methoxypent-2-en-4-ynoxy]oxane?
The InChIKey is DIOMRWSAQAISKJ-POHAHGRESA-N. The full InChI is InChI=1S/C11H16O3/c1-3-6-10(12-2)9-14-11-7-4-5-8-13-11/h1,6,11H,4-5,7-9H2,2H3/b10-6-.
What are the key properties of 2-[(Z)-2-methoxypent-2-en-4-ynoxy]oxane?
2-[(Z)-2-methoxypent-2-en-4-ynoxy]oxane has a molecular weight of 196.25 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-methoxypent-2-en-4-ynoxy]oxane is sourced from PubChem (CID 139265701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).