5-tert-butyl-5-ethenylnon-2-en-7-yne

C15H24 — CID 57225832

IUPAC5-tert-butyl-5-ethenylnon-2-en-7-yne
SMILESC=CC(CC#CC)(CC=CC)C(C)(C)C
InChIInChI=1S/C15H24/c1-7-10-12-15(9-3,13-11-8-2)14(4,5)6/h7,9-10H,3,12-13H2,1-2,4-6H3
InChIKeyOHAIEKHLMCOZKZ-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.58
Rot. Bonds4

About 5-tert-butyl-5-ethenylnon-2-en-7-yne

5-tert-butyl-5-ethenylnon-2-en-7-yne (PubChem CID 57225832) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 5-tert-butyl-5-ethenylnon-2-en-7-yne.

Molecular Properties

Compound Name5-tert-butyl-5-ethenylnon-2-en-7-yne
PubChem CID57225832
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name5-tert-butyl-5-ethenylnon-2-en-7-yne
SMILESC=CC(CC#CC)(CC=CC)C(C)(C)C
InChIInChI=1S/C15H24/c1-7-10-12-15(9-3,13-11-8-2)14(4,5)6/h7,9-10H,3,12-13H2,1-2,4-6H3
InChIKeyOHAIEKHLMCOZKZ-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.58
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

4,4,5,5-Tetramethyl-1-cyclohexene
CID 12474908
3-Tert-butyl-3-methylcyclobutene
CID 12628174
7-Dimethyloct-3-ene
CID 20340100
4,4-Dimethyloct-1-en-6-yne
CID 59085416
5,5-Dimethylhept-2-ene
CID 90996000
5-Ethyl-3,5,6,6-tetramethyl-hept-3-ene
CID 129656686
6,6-Dimethylhept-2-ene
CID 53883230
1,5-Cyclooctadiene, 3-t-butyl-
CID 5368978
4-(3,3-Dimethylbut-1-ynyl)cyclohexene
CID 86111044
5-Ethyl-4-methyloct-2-en-6-in
CID 129651520
5-Ethyl-4-methyloct-2-ene-6-yne
CID 129672957
Pentamethylnonene-4
CID 129704370

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-5-ethenylnon-2-en-7-yne?
The IUPAC name of 5-tert-butyl-5-ethenylnon-2-en-7-yne (CID 57225832) is 5-tert-butyl-5-ethenylnon-2-en-7-yne.
What is the SMILES notation for 5-tert-butyl-5-ethenylnon-2-en-7-yne?
The canonical SMILES for 5-tert-butyl-5-ethenylnon-2-en-7-yne is C=CC(CC#CC)(CC=CC)C(C)(C)C.
What is the InChIKey of 5-tert-butyl-5-ethenylnon-2-en-7-yne?
The InChIKey is OHAIEKHLMCOZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-7-10-12-15(9-3,13-11-8-2)14(4,5)6/h7,9-10H,3,12-13H2,1-2,4-6H3.
What are the key properties of 5-tert-butyl-5-ethenylnon-2-en-7-yne?
5-tert-butyl-5-ethenylnon-2-en-7-yne has a molecular weight of 204.36 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-5-ethenylnon-2-en-7-yne is sourced from PubChem (CID 57225832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).