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

C9H12O — CID 10964575

IUPAC[(E)-3-prop-2-ynoxyprop-1-enyl]cyclopropane
SMILESC#CCOC/C=C/C1CC1
InChIInChI=1S/C9H12O/c1-2-7-10-8-3-4-9-5-6-9/h1,3-4,9H,5-8H2/b4-3+
InChIKeyDJCKIRBBEYSWCT-ONEGZZNKSA-N
MW136.19 g/mol
LogP1.60
Rot. Bonds4

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

[(E)-3-prop-2-ynoxyprop-1-enyl]cyclopropane (PubChem CID 10964575) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is [(E)-3-prop-2-ynoxyprop-1-enyl]cyclopropane.

Molecular Properties

Compound Name[(E)-3-prop-2-ynoxyprop-1-enyl]cyclopropane
PubChem CID10964575
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name[(E)-3-prop-2-ynoxyprop-1-enyl]cyclopropane
SMILESC#CCOC/C=C/C1CC1
InChIInChI=1S/C9H12O/c1-2-7-10-8-3-4-9-5-6-9/h1,3-4,9H,5-8H2/b4-3+
InChIKeyDJCKIRBBEYSWCT-ONEGZZNKSA-N
XLogP1.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.60
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-prop-2-ynoxyprop-1-enyl]cyclopropane?
The IUPAC name of [(E)-3-prop-2-ynoxyprop-1-enyl]cyclopropane (CID 10964575) is [(E)-3-prop-2-ynoxyprop-1-enyl]cyclopropane.
What is the SMILES notation for [(E)-3-prop-2-ynoxyprop-1-enyl]cyclopropane?
The canonical SMILES for [(E)-3-prop-2-ynoxyprop-1-enyl]cyclopropane is C#CCOC/C=C/C1CC1.
What is the InChIKey of [(E)-3-prop-2-ynoxyprop-1-enyl]cyclopropane?
The InChIKey is DJCKIRBBEYSWCT-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H12O/c1-2-7-10-8-3-4-9-5-6-9/h1,3-4,9H,5-8H2/b4-3+.
What are the key properties of [(E)-3-prop-2-ynoxyprop-1-enyl]cyclopropane?
[(E)-3-prop-2-ynoxyprop-1-enyl]cyclopropane has a molecular weight of 136.19 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-prop-2-ynoxyprop-1-enyl]cyclopropane is sourced from PubChem (CID 10964575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).