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

C11H16O — CID 154722369

IUPAC8-prop-2-enoxyoct-1-en-6-yne
SMILESC=CCCCC#CCOCC=C
InChIInChI=1S/C11H16O/c1-3-5-6-7-8-9-11-12-10-4-2/h3-4H,1-2,5-7,10-11H2
InChIKeyNYAPCXLIJKQATO-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.55
Rot. Bonds6

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

8-prop-2-enoxyoct-1-en-6-yne (PubChem CID 154722369) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 8-prop-2-enoxyoct-1-en-6-yne.

Molecular Properties

Compound Name8-prop-2-enoxyoct-1-en-6-yne
PubChem CID154722369
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name8-prop-2-enoxyoct-1-en-6-yne
SMILESC=CCCCC#CCOCC=C
InChIInChI=1S/C11H16O/c1-3-5-6-7-8-9-11-12-10-4-2/h3-4H,1-2,5-7,10-11H2
InChIKeyNYAPCXLIJKQATO-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.55
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'}

Analyze 8-prop-2-enoxyoct-1-en-6-yne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-prop-2-enoxyoct-1-en-6-yne?
The IUPAC name of 8-prop-2-enoxyoct-1-en-6-yne (CID 154722369) is 8-prop-2-enoxyoct-1-en-6-yne.
What is the SMILES notation for 8-prop-2-enoxyoct-1-en-6-yne?
The canonical SMILES for 8-prop-2-enoxyoct-1-en-6-yne is C=CCCCC#CCOCC=C.
What is the InChIKey of 8-prop-2-enoxyoct-1-en-6-yne?
The InChIKey is NYAPCXLIJKQATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-3-5-6-7-8-9-11-12-10-4-2/h3-4H,1-2,5-7,10-11H2.
What are the key properties of 8-prop-2-enoxyoct-1-en-6-yne?
8-prop-2-enoxyoct-1-en-6-yne has a molecular weight of 164.25 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-prop-2-enoxyoct-1-en-6-yne is sourced from PubChem (CID 154722369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).