1-[(Z)-pent-2-enoxy]hept-2-yne

C12H20O — CID 135078704

IUPAC1-[(Z)-pent-2-enoxy]hept-2-yne
SMILESCC/C=C\COCC#CCCCC
InChIInChI=1S/C12H20O/c1-3-5-7-8-10-12-13-11-9-6-4-2/h6,9H,3-5,7,11-12H2,1-2H3/b9-6-
InChIKeyMSZMQOWZVOMUPB-TWGQIWQCSA-N
MW180.29 g/mol
LogP3.16
Rot. Bonds6

About 1-[(Z)-pent-2-enoxy]hept-2-yne

1-[(Z)-pent-2-enoxy]hept-2-yne (PubChem CID 135078704) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-[(Z)-pent-2-enoxy]hept-2-yne.

Molecular Properties

Compound Name1-[(Z)-pent-2-enoxy]hept-2-yne
PubChem CID135078704
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name1-[(Z)-pent-2-enoxy]hept-2-yne
SMILESCC/C=C\COCC#CCCCC
InChIInChI=1S/C12H20O/c1-3-5-7-8-10-12-13-11-9-6-4-2/h6,9H,3-5,7,11-12H2,1-2H3/b9-6-
InChIKeyMSZMQOWZVOMUPB-TWGQIWQCSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.16
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 1-[(Z)-pent-2-enoxy]hept-2-yne?
The IUPAC name of 1-[(Z)-pent-2-enoxy]hept-2-yne (CID 135078704) is 1-[(Z)-pent-2-enoxy]hept-2-yne.
What is the SMILES notation for 1-[(Z)-pent-2-enoxy]hept-2-yne?
The canonical SMILES for 1-[(Z)-pent-2-enoxy]hept-2-yne is CC/C=C\COCC#CCCCC.
What is the InChIKey of 1-[(Z)-pent-2-enoxy]hept-2-yne?
The InChIKey is MSZMQOWZVOMUPB-TWGQIWQCSA-N. The full InChI is InChI=1S/C12H20O/c1-3-5-7-8-10-12-13-11-9-6-4-2/h6,9H,3-5,7,11-12H2,1-2H3/b9-6-.
What are the key properties of 1-[(Z)-pent-2-enoxy]hept-2-yne?
1-[(Z)-pent-2-enoxy]hept-2-yne has a molecular weight of 180.29 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-pent-2-enoxy]hept-2-yne is sourced from PubChem (CID 135078704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).