5-prop-2-ynoxyhept-1-en-6-yne

C10H12O — CID 15247309

IUPAC5-prop-2-ynoxyhept-1-en-6-yne
SMILESC#CCOC(C#C)CCC=C
InChIInChI=1S/C10H12O/c1-4-7-8-10(6-3)11-9-5-2/h2-4,10H,1,7-9H2
InChIKeyGJHAMJFBSQXIRH-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.60
Rot. Bonds5

About 5-prop-2-ynoxyhept-1-en-6-yne

5-prop-2-ynoxyhept-1-en-6-yne (PubChem CID 15247309) has the molecular formula C10H12O and a molecular weight of 148.21 g/mol. Its IUPAC name is 5-prop-2-ynoxyhept-1-en-6-yne.

Molecular Properties

Compound Name5-prop-2-ynoxyhept-1-en-6-yne
PubChem CID15247309
Molecular FormulaC10H12O
Molecular Weight148.21 g/mol
Exact Mass148.09
IUPAC Name5-prop-2-ynoxyhept-1-en-6-yne
SMILESC#CCOC(C#C)CCC=C
InChIInChI=1S/C10H12O/c1-4-7-8-10(6-3)11-9-5-2/h2-4,10H,1,7-9H2
InChIKeyGJHAMJFBSQXIRH-UHFFFAOYSA-N
XLogP1.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 5-prop-2-ynoxyhept-1-en-6-yne?
The IUPAC name of 5-prop-2-ynoxyhept-1-en-6-yne (CID 15247309) is 5-prop-2-ynoxyhept-1-en-6-yne.
What is the SMILES notation for 5-prop-2-ynoxyhept-1-en-6-yne?
The canonical SMILES for 5-prop-2-ynoxyhept-1-en-6-yne is C#CCOC(C#C)CCC=C.
What is the InChIKey of 5-prop-2-ynoxyhept-1-en-6-yne?
The InChIKey is GJHAMJFBSQXIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-4-7-8-10(6-3)11-9-5-2/h2-4,10H,1,7-9H2.
What are the key properties of 5-prop-2-ynoxyhept-1-en-6-yne?
5-prop-2-ynoxyhept-1-en-6-yne has a molecular weight of 148.21 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-ynoxyhept-1-en-6-yne is sourced from PubChem (CID 15247309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).