7-ethyl-2,7,8-trimethylnon-4-yne

C14H26 — CID 58088313

IUPAC7-ethyl-2,7,8-trimethylnon-4-yne
SMILESCCC(C)(CC#CCC(C)C)C(C)C
InChIInChI=1S/C14H26/c1-7-14(6,13(4)5)11-9-8-10-12(2)3/h12-13H,7,10-11H2,1-6H3
InChIKeyBSEWNWIWZBMYRW-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.50
Rot. Bonds4

About 7-ethyl-2,7,8-trimethylnon-4-yne

7-ethyl-2,7,8-trimethylnon-4-yne (PubChem CID 58088313) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 7-ethyl-2,7,8-trimethylnon-4-yne.

Molecular Properties

Compound Name7-ethyl-2,7,8-trimethylnon-4-yne
PubChem CID58088313
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name7-ethyl-2,7,8-trimethylnon-4-yne
SMILESCCC(C)(CC#CCC(C)C)C(C)C
InChIInChI=1S/C14H26/c1-7-14(6,13(4)5)11-9-8-10-12(2)3/h12-13H,7,10-11H2,1-6H3
InChIKeyBSEWNWIWZBMYRW-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2,7,8-trimethylnon-4-yne?
The IUPAC name of 7-ethyl-2,7,8-trimethylnon-4-yne (CID 58088313) is 7-ethyl-2,7,8-trimethylnon-4-yne.
What is the SMILES notation for 7-ethyl-2,7,8-trimethylnon-4-yne?
The canonical SMILES for 7-ethyl-2,7,8-trimethylnon-4-yne is CCC(C)(CC#CCC(C)C)C(C)C.
What is the InChIKey of 7-ethyl-2,7,8-trimethylnon-4-yne?
The InChIKey is BSEWNWIWZBMYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-7-14(6,13(4)5)11-9-8-10-12(2)3/h12-13H,7,10-11H2,1-6H3.
What are the key properties of 7-ethyl-2,7,8-trimethylnon-4-yne?
7-ethyl-2,7,8-trimethylnon-4-yne has a molecular weight of 194.36 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2,7,8-trimethylnon-4-yne is sourced from PubChem (CID 58088313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).