4-(2-methoxyethyl)hept-1-en-6-yne

C10H16O — CID 71392593

IUPAC4-(2-methoxyethyl)hept-1-en-6-yne
SMILESC#CCC(CC=C)CCOC
InChIInChI=1S/C10H16O/c1-4-6-10(7-5-2)8-9-11-3/h1,5,10H,2,6-9H2,3H3
InChIKeyJVDAAUAUXLWVJE-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.24
Rot. Bonds6

About 4-(2-methoxyethyl)hept-1-en-6-yne

4-(2-methoxyethyl)hept-1-en-6-yne (PubChem CID 71392593) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-(2-methoxyethyl)hept-1-en-6-yne.

Molecular Properties

Compound Name4-(2-methoxyethyl)hept-1-en-6-yne
PubChem CID71392593
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name4-(2-methoxyethyl)hept-1-en-6-yne
SMILESC#CCC(CC=C)CCOC
InChIInChI=1S/C10H16O/c1-4-6-10(7-5-2)8-9-11-3/h1,5,10H,2,6-9H2,3H3
InChIKeyJVDAAUAUXLWVJE-UHFFFAOYSA-N
XLogP2.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.24
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 4-(2-methoxyethyl)hept-1-en-6-yne?
The IUPAC name of 4-(2-methoxyethyl)hept-1-en-6-yne (CID 71392593) is 4-(2-methoxyethyl)hept-1-en-6-yne.
What is the SMILES notation for 4-(2-methoxyethyl)hept-1-en-6-yne?
The canonical SMILES for 4-(2-methoxyethyl)hept-1-en-6-yne is C#CCC(CC=C)CCOC.
What is the InChIKey of 4-(2-methoxyethyl)hept-1-en-6-yne?
The InChIKey is JVDAAUAUXLWVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-4-6-10(7-5-2)8-9-11-3/h1,5,10H,2,6-9H2,3H3.
What are the key properties of 4-(2-methoxyethyl)hept-1-en-6-yne?
4-(2-methoxyethyl)hept-1-en-6-yne has a molecular weight of 152.24 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)hept-1-en-6-yne is sourced from PubChem (CID 71392593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).