[(E)-3-pent-2-ynoxyprop-1-enyl]cyclopropane

C11H16O — CID 101077403

IUPAC[(E)-3-pent-2-ynoxyprop-1-enyl]cyclopropane
SMILESCCC#CCOC/C=C/C1CC1
InChIInChI=1S/C11H16O/c1-2-3-4-9-12-10-5-6-11-7-8-11/h5-6,11H,2,7-10H2,1H3/b6-5+
InChIKeyJKKKSLYWDLWDNQ-AATRIKPKSA-N
MW164.25 g/mol
LogP2.38
Rot. Bonds4

About [(E)-3-pent-2-ynoxyprop-1-enyl]cyclopropane

[(E)-3-pent-2-ynoxyprop-1-enyl]cyclopropane (PubChem CID 101077403) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is [(E)-3-pent-2-ynoxyprop-1-enyl]cyclopropane.

Molecular Properties

Compound Name[(E)-3-pent-2-ynoxyprop-1-enyl]cyclopropane
PubChem CID101077403
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name[(E)-3-pent-2-ynoxyprop-1-enyl]cyclopropane
SMILESCCC#CCOC/C=C/C1CC1
InChIInChI=1S/C11H16O/c1-2-3-4-9-12-10-5-6-11-7-8-11/h5-6,11H,2,7-10H2,1H3/b6-5+
InChIKeyJKKKSLYWDLWDNQ-AATRIKPKSA-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)-3-pent-2-ynoxyprop-1-enyl]cyclopropane?
The IUPAC name of [(E)-3-pent-2-ynoxyprop-1-enyl]cyclopropane (CID 101077403) is [(E)-3-pent-2-ynoxyprop-1-enyl]cyclopropane.
What is the SMILES notation for [(E)-3-pent-2-ynoxyprop-1-enyl]cyclopropane?
The canonical SMILES for [(E)-3-pent-2-ynoxyprop-1-enyl]cyclopropane is CCC#CCOC/C=C/C1CC1.
What is the InChIKey of [(E)-3-pent-2-ynoxyprop-1-enyl]cyclopropane?
The InChIKey is JKKKSLYWDLWDNQ-AATRIKPKSA-N. The full InChI is InChI=1S/C11H16O/c1-2-3-4-9-12-10-5-6-11-7-8-11/h5-6,11H,2,7-10H2,1H3/b6-5+.
What are the key properties of [(E)-3-pent-2-ynoxyprop-1-enyl]cyclopropane?
[(E)-3-pent-2-ynoxyprop-1-enyl]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)-3-pent-2-ynoxyprop-1-enyl]cyclopropane is sourced from PubChem (CID 101077403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).