1-prop-2-enoxyhept-2-yne

C10H16O — CID 11457789

IUPAC1-prop-2-enoxyhept-2-yne
SMILESC=CCOCC#CCCCC
InChIInChI=1S/C10H16O/c1-3-5-6-7-8-10-11-9-4-2/h4H,2-3,5-6,9-10H2,1H3
InChIKeyVYFFYOIKMBJBQC-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.38
Rot. Bonds5

About 1-prop-2-enoxyhept-2-yne

1-prop-2-enoxyhept-2-yne (PubChem CID 11457789) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-prop-2-enoxyhept-2-yne.

Molecular Properties

Compound Name1-prop-2-enoxyhept-2-yne
PubChem CID11457789
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-prop-2-enoxyhept-2-yne
SMILESC=CCOCC#CCCCC
InChIInChI=1S/C10H16O/c1-3-5-6-7-8-10-11-9-4-2/h4H,2-3,5-6,9-10H2,1H3
InChIKeyVYFFYOIKMBJBQC-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.38
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-prop-2-enoxyhept-2-yne?
The IUPAC name of 1-prop-2-enoxyhept-2-yne (CID 11457789) is 1-prop-2-enoxyhept-2-yne.
What is the SMILES notation for 1-prop-2-enoxyhept-2-yne?
The canonical SMILES for 1-prop-2-enoxyhept-2-yne is C=CCOCC#CCCCC.
What is the InChIKey of 1-prop-2-enoxyhept-2-yne?
The InChIKey is VYFFYOIKMBJBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-3-5-6-7-8-10-11-9-4-2/h4H,2-3,5-6,9-10H2,1H3.
What are the key properties of 1-prop-2-enoxyhept-2-yne?
1-prop-2-enoxyhept-2-yne has a molecular weight of 152.24 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxyhept-2-yne is sourced from PubChem (CID 11457789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).