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

C10H14O — CID 11073594

IUPAC[(E)-3-but-2-ynoxyprop-1-enyl]cyclopropane
SMILESCC#CCOC/C=C/C1CC1
InChIInChI=1S/C10H14O/c1-2-3-8-11-9-4-5-10-6-7-10/h4-5,10H,6-9H2,1H3/b5-4+
InChIKeyQAWGBTRLYKGODG-SNAWJCMRSA-N
MW150.22 g/mol
LogP1.99
Rot. Bonds4

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

[(E)-3-but-2-ynoxyprop-1-enyl]cyclopropane (PubChem CID 11073594) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is [(E)-3-but-2-ynoxyprop-1-enyl]cyclopropane.

Molecular Properties

Compound Name[(E)-3-but-2-ynoxyprop-1-enyl]cyclopropane
PubChem CID11073594
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name[(E)-3-but-2-ynoxyprop-1-enyl]cyclopropane
SMILESCC#CCOC/C=C/C1CC1
InChIInChI=1S/C10H14O/c1-2-3-8-11-9-4-5-10-6-7-10/h4-5,10H,6-9H2,1H3/b5-4+
InChIKeyQAWGBTRLYKGODG-SNAWJCMRSA-N
XLogP1.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.99
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-but-2-ynoxyprop-1-enyl]cyclopropane?
The IUPAC name of [(E)-3-but-2-ynoxyprop-1-enyl]cyclopropane (CID 11073594) is [(E)-3-but-2-ynoxyprop-1-enyl]cyclopropane.
What is the SMILES notation for [(E)-3-but-2-ynoxyprop-1-enyl]cyclopropane?
The canonical SMILES for [(E)-3-but-2-ynoxyprop-1-enyl]cyclopropane is CC#CCOC/C=C/C1CC1.
What is the InChIKey of [(E)-3-but-2-ynoxyprop-1-enyl]cyclopropane?
The InChIKey is QAWGBTRLYKGODG-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H14O/c1-2-3-8-11-9-4-5-10-6-7-10/h4-5,10H,6-9H2,1H3/b5-4+.
What are the key properties of [(E)-3-but-2-ynoxyprop-1-enyl]cyclopropane?
[(E)-3-but-2-ynoxyprop-1-enyl]cyclopropane has a molecular weight of 150.22 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-but-2-ynoxyprop-1-enyl]cyclopropane is sourced from PubChem (CID 11073594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).