[(E)-4-but-2-ynoxybut-2-en-2-yl]cyclopropane

C11H16O — CID 15355270

IUPAC[(E)-4-but-2-ynoxybut-2-en-2-yl]cyclopropane
SMILESCC#CCOC/C=C(\C)C1CC1
InChIInChI=1S/C11H16O/c1-3-4-8-12-9-7-10(2)11-5-6-11/h7,11H,5-6,8-9H2,1-2H3/b10-7+
InChIKeyQHLPELKTEBPNMU-JXMROGBWSA-N
MW164.25 g/mol
LogP2.38
Rot. Bonds4

About [(E)-4-but-2-ynoxybut-2-en-2-yl]cyclopropane

[(E)-4-but-2-ynoxybut-2-en-2-yl]cyclopropane (PubChem CID 15355270) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is [(E)-4-but-2-ynoxybut-2-en-2-yl]cyclopropane.

Molecular Properties

Compound Name[(E)-4-but-2-ynoxybut-2-en-2-yl]cyclopropane
PubChem CID15355270
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name[(E)-4-but-2-ynoxybut-2-en-2-yl]cyclopropane
SMILESCC#CCOC/C=C(\C)C1CC1
InChIInChI=1S/C11H16O/c1-3-4-8-12-9-7-10(2)11-5-6-11/h7,11H,5-6,8-9H2,1-2H3/b10-7+
InChIKeyQHLPELKTEBPNMU-JXMROGBWSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.38
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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Frequently Asked Questions

What is the IUPAC name of [(E)-4-but-2-ynoxybut-2-en-2-yl]cyclopropane?
The IUPAC name of [(E)-4-but-2-ynoxybut-2-en-2-yl]cyclopropane (CID 15355270) is [(E)-4-but-2-ynoxybut-2-en-2-yl]cyclopropane.
What is the SMILES notation for [(E)-4-but-2-ynoxybut-2-en-2-yl]cyclopropane?
The canonical SMILES for [(E)-4-but-2-ynoxybut-2-en-2-yl]cyclopropane is CC#CCOC/C=C(\C)C1CC1.
What is the InChIKey of [(E)-4-but-2-ynoxybut-2-en-2-yl]cyclopropane?
The InChIKey is QHLPELKTEBPNMU-JXMROGBWSA-N. The full InChI is InChI=1S/C11H16O/c1-3-4-8-12-9-7-10(2)11-5-6-11/h7,11H,5-6,8-9H2,1-2H3/b10-7+.
What are the key properties of [(E)-4-but-2-ynoxybut-2-en-2-yl]cyclopropane?
[(E)-4-but-2-ynoxybut-2-en-2-yl]cyclopropane has a molecular weight of 164.25 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-but-2-ynoxybut-2-en-2-yl]cyclopropane is sourced from PubChem (CID 15355270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).