8-prop-2-ynoxyoct-1-en-6-yne

C11H14O — CID 11658338

IUPAC8-prop-2-ynoxyoct-1-en-6-yne
SMILESC#CCOCC#CCCCC=C
InChIInChI=1S/C11H14O/c1-3-5-6-7-8-9-11-12-10-4-2/h2-3H,1,5-7,10-11H2
InChIKeyNBBXYQWPOBVFCT-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.00
Rot. Bonds5

About 8-prop-2-ynoxyoct-1-en-6-yne

8-prop-2-ynoxyoct-1-en-6-yne (PubChem CID 11658338) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 8-prop-2-ynoxyoct-1-en-6-yne.

Molecular Properties

Compound Name8-prop-2-ynoxyoct-1-en-6-yne
PubChem CID11658338
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name8-prop-2-ynoxyoct-1-en-6-yne
SMILESC#CCOCC#CCCCC=C
InChIInChI=1S/C11H14O/c1-3-5-6-7-8-9-11-12-10-4-2/h2-3H,1,5-7,10-11H2
InChIKeyNBBXYQWPOBVFCT-UHFFFAOYSA-N
XLogP2.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.00
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 8-prop-2-ynoxyoct-1-en-6-yne?
The IUPAC name of 8-prop-2-ynoxyoct-1-en-6-yne (CID 11658338) is 8-prop-2-ynoxyoct-1-en-6-yne.
What is the SMILES notation for 8-prop-2-ynoxyoct-1-en-6-yne?
The canonical SMILES for 8-prop-2-ynoxyoct-1-en-6-yne is C#CCOCC#CCCCC=C.
What is the InChIKey of 8-prop-2-ynoxyoct-1-en-6-yne?
The InChIKey is NBBXYQWPOBVFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-3-5-6-7-8-9-11-12-10-4-2/h2-3H,1,5-7,10-11H2.
What are the key properties of 8-prop-2-ynoxyoct-1-en-6-yne?
8-prop-2-ynoxyoct-1-en-6-yne has a molecular weight of 162.23 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-prop-2-ynoxyoct-1-en-6-yne is sourced from PubChem (CID 11658338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).