4,4-diethylhept-1-en-6-yne

C11H18 — CID 71392170

IUPAC4,4-diethylhept-1-en-6-yne
SMILESC#CCC(CC)(CC)CC=C
InChIInChI=1S/C11H18/c1-5-9-11(7-3,8-4)10-6-2/h1,6H,2,7-10H2,3-4H3
InChIKeyXZCMVRSYSDIHSG-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.39
Rot. Bonds5

About 4,4-diethylhept-1-en-6-yne

4,4-diethylhept-1-en-6-yne (PubChem CID 71392170) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 4,4-diethylhept-1-en-6-yne.

Molecular Properties

Compound Name4,4-diethylhept-1-en-6-yne
PubChem CID71392170
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name4,4-diethylhept-1-en-6-yne
SMILESC#CCC(CC)(CC)CC=C
InChIInChI=1S/C11H18/c1-5-9-11(7-3,8-4)10-6-2/h1,6H,2,7-10H2,3-4H3
InChIKeyXZCMVRSYSDIHSG-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 4,4-diethylhept-1-en-6-yne?
The IUPAC name of 4,4-diethylhept-1-en-6-yne (CID 71392170) is 4,4-diethylhept-1-en-6-yne.
What is the SMILES notation for 4,4-diethylhept-1-en-6-yne?
The canonical SMILES for 4,4-diethylhept-1-en-6-yne is C#CCC(CC)(CC)CC=C.
What is the InChIKey of 4,4-diethylhept-1-en-6-yne?
The InChIKey is XZCMVRSYSDIHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-5-9-11(7-3,8-4)10-6-2/h1,6H,2,7-10H2,3-4H3.
What are the key properties of 4,4-diethylhept-1-en-6-yne?
4,4-diethylhept-1-en-6-yne has a molecular weight of 150.26 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethylhept-1-en-6-yne is sourced from PubChem (CID 71392170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).