6-ethyl-6-ethynyldec-1-ene

C14H24 — CID 91210292

IUPAC6-ethyl-6-ethynyldec-1-ene
SMILESC#CC(CC)(CCCC)CCCC=C
InChIInChI=1S/C14H24/c1-5-9-11-13-14(7-3,8-4)12-10-6-2/h3,5H,1,6,8-13H2,2,4H3
InChIKeyBEGIKBLDJUSHNE-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.56
Rot. Bonds8

About 6-ethyl-6-ethynyldec-1-ene

6-ethyl-6-ethynyldec-1-ene (PubChem CID 91210292) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 6-ethyl-6-ethynyldec-1-ene.

Molecular Properties

Compound Name6-ethyl-6-ethynyldec-1-ene
PubChem CID91210292
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name6-ethyl-6-ethynyldec-1-ene
SMILESC#CC(CC)(CCCC)CCCC=C
InChIInChI=1S/C14H24/c1-5-9-11-13-14(7-3,8-4)12-10-6-2/h3,5H,1,6,8-13H2,2,4H3
InChIKeyBEGIKBLDJUSHNE-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 6-ethyl-6-ethynyldec-1-ene?
The IUPAC name of 6-ethyl-6-ethynyldec-1-ene (CID 91210292) is 6-ethyl-6-ethynyldec-1-ene.
What is the SMILES notation for 6-ethyl-6-ethynyldec-1-ene?
The canonical SMILES for 6-ethyl-6-ethynyldec-1-ene is C#CC(CC)(CCCC)CCCC=C.
What is the InChIKey of 6-ethyl-6-ethynyldec-1-ene?
The InChIKey is BEGIKBLDJUSHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-5-9-11-13-14(7-3,8-4)12-10-6-2/h3,5H,1,6,8-13H2,2,4H3.
What are the key properties of 6-ethyl-6-ethynyldec-1-ene?
6-ethyl-6-ethynyldec-1-ene has a molecular weight of 192.35 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-ethynyldec-1-ene is sourced from PubChem (CID 91210292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).