5-but-1-ynyl-4-ethyl-5-ethynyldec-2-en-6-yne

C18H24 — CID 90872387

IUPAC5-but-1-ynyl-4-ethyl-5-ethynyldec-2-en-6-yne
SMILESC#CC(C#CCC)(C#CCCC)C(C=CC)CC
InChIInChI=1S/C18H24/c1-6-11-13-16-18(10-5,15-12-7-2)17(9-4)14-8-3/h5,8,14,17H,6-7,9,11H2,1-4H3
InChIKeyNAEOYZIIARLJMN-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.43
Rot. Bonds4

About 5-but-1-ynyl-4-ethyl-5-ethynyldec-2-en-6-yne

5-but-1-ynyl-4-ethyl-5-ethynyldec-2-en-6-yne (PubChem CID 90872387) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 5-but-1-ynyl-4-ethyl-5-ethynyldec-2-en-6-yne.

Molecular Properties

Compound Name5-but-1-ynyl-4-ethyl-5-ethynyldec-2-en-6-yne
PubChem CID90872387
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name5-but-1-ynyl-4-ethyl-5-ethynyldec-2-en-6-yne
SMILESC#CC(C#CCC)(C#CCCC)C(C=CC)CC
InChIInChI=1S/C18H24/c1-6-11-13-16-18(10-5,15-12-7-2)17(9-4)14-8-3/h5,8,14,17H,6-7,9,11H2,1-4H3
InChIKeyNAEOYZIIARLJMN-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.43
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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Related Compounds

(3R,4R)-3-hepta-1,3,5-triynyl-4-[(E)-non-1-en-3,5,7-triynyl]cyclohexene
CID 162897285
6-[(E)-but-1-en-3-ynyl]-1,5,5-trimethylcyclohexene
CID 14730884
5-Decene, 4-ethynyl-, (E)-
CID 5367312
(5R,6R)-1-ethynyl-5,6-dimethyl-6-(2-methylprop-1-enyl)cyclohexene
CID 101913647
5-Ethyl-4-methyloct-2-en-6-in
CID 129651520
5-Ethyl-4-methyloct-2-ene-6-yne
CID 129672957
(E)-4,4-dimethyloct-6-en-1-yne
CID 134973888
(E)-4-ethyl-5,5-dimethylhex-2-ene
CID 134991930
6-Ethynyl-1,5,5-trimethylcyclohexene
CID 13296916
1,5,5-Trimethyl-6-(4-methyl-3-methylideneoct-7-en-1-ynyl)cyclohexene
CID 20352449
6-[(E)-3,3-dimethylpent-1-en-4-ynyl]-1,5,5-trimethylcyclohexene
CID 21035914
1,5,5-Trimethyl-6-pent-4-en-1-ynylcyclohexene
CID 22052832

Frequently Asked Questions

What is the IUPAC name of 5-but-1-ynyl-4-ethyl-5-ethynyldec-2-en-6-yne?
The IUPAC name of 5-but-1-ynyl-4-ethyl-5-ethynyldec-2-en-6-yne (CID 90872387) is 5-but-1-ynyl-4-ethyl-5-ethynyldec-2-en-6-yne.
What is the SMILES notation for 5-but-1-ynyl-4-ethyl-5-ethynyldec-2-en-6-yne?
The canonical SMILES for 5-but-1-ynyl-4-ethyl-5-ethynyldec-2-en-6-yne is C#CC(C#CCC)(C#CCCC)C(C=CC)CC.
What is the InChIKey of 5-but-1-ynyl-4-ethyl-5-ethynyldec-2-en-6-yne?
The InChIKey is NAEOYZIIARLJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24/c1-6-11-13-16-18(10-5,15-12-7-2)17(9-4)14-8-3/h5,8,14,17H,6-7,9,11H2,1-4H3.
What are the key properties of 5-but-1-ynyl-4-ethyl-5-ethynyldec-2-en-6-yne?
5-but-1-ynyl-4-ethyl-5-ethynyldec-2-en-6-yne has a molecular weight of 240.39 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-1-ynyl-4-ethyl-5-ethynyldec-2-en-6-yne is sourced from PubChem (CID 90872387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).