5,6-diethyldec-2-en-7-yne

C14H24 — CID 57183483

IUPAC5,6-diethyldec-2-en-7-yne
SMILESCC=CCC(CC)C(C#CCC)CC
InChIInChI=1S/C14H24/c1-5-9-11-13(7-3)14(8-4)12-10-6-2/h5,9,13-14H,6-8,11H2,1-4H3
InChIKeyIBUKQIFKCCEFQB-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.42
Rot. Bonds5

About 5,6-diethyldec-2-en-7-yne

5,6-diethyldec-2-en-7-yne (PubChem CID 57183483) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 5,6-diethyldec-2-en-7-yne.

Molecular Properties

Compound Name5,6-diethyldec-2-en-7-yne
PubChem CID57183483
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name5,6-diethyldec-2-en-7-yne
SMILESCC=CCC(CC)C(C#CCC)CC
InChIInChI=1S/C14H24/c1-5-9-11-13(7-3)14(8-4)12-10-6-2/h5,9,13-14H,6-8,11H2,1-4H3
InChIKeyIBUKQIFKCCEFQB-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.42
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 5,6-diethyldec-2-en-7-yne?
The IUPAC name of 5,6-diethyldec-2-en-7-yne (CID 57183483) is 5,6-diethyldec-2-en-7-yne.
What is the SMILES notation for 5,6-diethyldec-2-en-7-yne?
The canonical SMILES for 5,6-diethyldec-2-en-7-yne is CC=CCC(CC)C(C#CCC)CC.
What is the InChIKey of 5,6-diethyldec-2-en-7-yne?
The InChIKey is IBUKQIFKCCEFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-5-9-11-13(7-3)14(8-4)12-10-6-2/h5,9,13-14H,6-8,11H2,1-4H3.
What are the key properties of 5,6-diethyldec-2-en-7-yne?
5,6-diethyldec-2-en-7-yne has a molecular weight of 192.35 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyldec-2-en-7-yne is sourced from PubChem (CID 57183483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).