bicyclo[11.4.0]heptadeca-3,10-diyne

C17H24 — CID 134994752

IUPACbicyclo[11.4.0]heptadeca-3,10-diyne
SMILESC1#CCC2CCCCC2CC#CCCCCC1
InChIInChI=1S/C17H24/c1-2-4-6-8-12-16-14-10-11-15-17(16)13-9-7-5-3-1/h16-17H,1-5,10-15H2
InChIKeyUDHSFKCLZDHPDV-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.54
Rot. Bonds

About bicyclo[11.4.0]heptadeca-3,10-diyne

bicyclo[11.4.0]heptadeca-3,10-diyne (PubChem CID 134994752) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is bicyclo[11.4.0]heptadeca-3,10-diyne.

Molecular Properties

Compound Namebicyclo[11.4.0]heptadeca-3,10-diyne
PubChem CID134994752
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Namebicyclo[11.4.0]heptadeca-3,10-diyne
SMILESC1#CCC2CCCCC2CC#CCCCCC1
InChIInChI=1S/C17H24/c1-2-4-6-8-12-16-14-10-11-15-17(16)13-9-7-5-3-1/h16-17H,1-5,10-15H2
InChIKeyUDHSFKCLZDHPDV-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(But-3-yn-1-yl)cyclohexane
CID 15172911
1,2-Di(prop-2-ynyl)cyclohexane
CID 556396
1-Cyclohexyloct-3-yne
CID 19817989
5-Cyclohexyl-2-methyl-pentin-3
CID 20823880
(Pent-4-yn-1-yl)cyclohexane
CID 15172912
2-Butyn-1-ylcyclohexane
CID 58691513
Dodeca-1,3-diynylcyclohexane
CID 11288031
1,2-Diethynylcyclohexane
CID 76541285
Bicyclo[10.3.1]hexadeca-3,9-diyne
CID 134976308
Tricyclo[14.3.1.06,11]icosa-3,13-diyne
CID 134976309
Tetradec-3-ynylcyclohexane
CID 134977776
Bicyclo[13.3.1]nonadeca-4,11-diyne
CID 134978276

Frequently Asked Questions

What is the IUPAC name of bicyclo[11.4.0]heptadeca-3,10-diyne?
The IUPAC name of bicyclo[11.4.0]heptadeca-3,10-diyne (CID 134994752) is bicyclo[11.4.0]heptadeca-3,10-diyne.
What is the SMILES notation for bicyclo[11.4.0]heptadeca-3,10-diyne?
The canonical SMILES for bicyclo[11.4.0]heptadeca-3,10-diyne is C1#CCC2CCCCC2CC#CCCCCC1.
What is the InChIKey of bicyclo[11.4.0]heptadeca-3,10-diyne?
The InChIKey is UDHSFKCLZDHPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24/c1-2-4-6-8-12-16-14-10-11-15-17(16)13-9-7-5-3-1/h16-17H,1-5,10-15H2.
What are the key properties of bicyclo[11.4.0]heptadeca-3,10-diyne?
bicyclo[11.4.0]heptadeca-3,10-diyne has a molecular weight of 228.38 g/mol, XLogP of 4.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[11.4.0]heptadeca-3,10-diyne is sourced from PubChem (CID 134994752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).