5-prop-2-enoxy-2-(prop-2-enoxymethyl)pent-1-en-3-yne

C12H16O2 — CID 134981888

IUPAC5-prop-2-enoxy-2-(prop-2-enoxymethyl)pent-1-en-3-yne
SMILESC=CCOCC#CC(=C)COCC=C
InChIInChI=1S/C12H16O2/c1-4-8-13-10-6-7-12(3)11-14-9-5-2/h4-5H,1-3,8-11H2
InChIKeyXQTDGICGTDSBKX-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.95
Rot. Bonds7

About 5-prop-2-enoxy-2-(prop-2-enoxymethyl)pent-1-en-3-yne

5-prop-2-enoxy-2-(prop-2-enoxymethyl)pent-1-en-3-yne (PubChem CID 134981888) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-prop-2-enoxy-2-(prop-2-enoxymethyl)pent-1-en-3-yne.

Molecular Properties

Compound Name5-prop-2-enoxy-2-(prop-2-enoxymethyl)pent-1-en-3-yne
PubChem CID134981888
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name5-prop-2-enoxy-2-(prop-2-enoxymethyl)pent-1-en-3-yne
SMILESC=CCOCC#CC(=C)COCC=C
InChIInChI=1S/C12H16O2/c1-4-8-13-10-6-7-12(3)11-14-9-5-2/h4-5H,1-3,8-11H2
InChIKeyXQTDGICGTDSBKX-UHFFFAOYSA-N
XLogP1.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enoxy-2-(prop-2-enoxymethyl)pent-1-en-3-yne?
The IUPAC name of 5-prop-2-enoxy-2-(prop-2-enoxymethyl)pent-1-en-3-yne (CID 134981888) is 5-prop-2-enoxy-2-(prop-2-enoxymethyl)pent-1-en-3-yne.
What is the SMILES notation for 5-prop-2-enoxy-2-(prop-2-enoxymethyl)pent-1-en-3-yne?
The canonical SMILES for 5-prop-2-enoxy-2-(prop-2-enoxymethyl)pent-1-en-3-yne is C=CCOCC#CC(=C)COCC=C.
What is the InChIKey of 5-prop-2-enoxy-2-(prop-2-enoxymethyl)pent-1-en-3-yne?
The InChIKey is XQTDGICGTDSBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-4-8-13-10-6-7-12(3)11-14-9-5-2/h4-5H,1-3,8-11H2.
What are the key properties of 5-prop-2-enoxy-2-(prop-2-enoxymethyl)pent-1-en-3-yne?
5-prop-2-enoxy-2-(prop-2-enoxymethyl)pent-1-en-3-yne has a molecular weight of 192.26 g/mol, XLogP of 1.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enoxy-2-(prop-2-enoxymethyl)pent-1-en-3-yne is sourced from PubChem (CID 134981888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).