bicyclo[9.4.0]pentadeca-2,9-diyne

C15H20 — CID 134978450

IUPACbicyclo[9.4.0]pentadeca-2,9-diyne
SMILESC1#CC2CCCCC2C#CCCCCC1
InChIInChI=1S/C15H20/c1-2-4-6-10-14-12-8-9-13-15(14)11-7-5-3-1/h14-15H,1-5,8-9,12-13H2
InChIKeyCEGUPSUTAWJEDQ-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.76
Rot. Bonds

About bicyclo[9.4.0]pentadeca-2,9-diyne

bicyclo[9.4.0]pentadeca-2,9-diyne (PubChem CID 134978450) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is bicyclo[9.4.0]pentadeca-2,9-diyne.

Molecular Properties

Compound Namebicyclo[9.4.0]pentadeca-2,9-diyne
PubChem CID134978450
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Namebicyclo[9.4.0]pentadeca-2,9-diyne
SMILESC1#CC2CCCCC2C#CCCCCC1
InChIInChI=1S/C15H20/c1-2-4-6-10-14-12-8-9-13-15(14)11-7-5-3-1/h14-15H,1-5,8-9,12-13H2
InChIKeyCEGUPSUTAWJEDQ-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.76
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

1-Methyl-2-propylcyclohexane
CID 107252
1,2-Dimethylcyclohexane
CID 11416
Cyclohexane, 1-ethyl-2-methyl-, cis-
CID 23620236
(Prop-2-yn-1-yl)cyclohexane
CID 87265
1,2-Dimethylcyclohexane, cis-
CID 16628
1,2-Dimethylcyclohexane, trans-
CID 23313
1-Ethyl-2-propylcyclohexane
CID 549960
1-Ethyl-2-methylcyclohexane
CID 35413
(But-3-yn-1-yl)cyclohexane
CID 15172911
(1r,2r)-1-Methyl-2-propylcyclohexane
CID 252328
(But-3-yn-2-yl)cyclohexane
CID 54488815
Cyclohexane, 1-ethyl-2-methyl-, trans-
CID 6432471

Frequently Asked Questions

What is the IUPAC name of bicyclo[9.4.0]pentadeca-2,9-diyne?
The IUPAC name of bicyclo[9.4.0]pentadeca-2,9-diyne (CID 134978450) is bicyclo[9.4.0]pentadeca-2,9-diyne.
What is the SMILES notation for bicyclo[9.4.0]pentadeca-2,9-diyne?
The canonical SMILES for bicyclo[9.4.0]pentadeca-2,9-diyne is C1#CC2CCCCC2C#CCCCCC1.
What is the InChIKey of bicyclo[9.4.0]pentadeca-2,9-diyne?
The InChIKey is CEGUPSUTAWJEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-2-4-6-10-14-12-8-9-13-15(14)11-7-5-3-1/h14-15H,1-5,8-9,12-13H2.
What are the key properties of bicyclo[9.4.0]pentadeca-2,9-diyne?
bicyclo[9.4.0]pentadeca-2,9-diyne has a molecular weight of 200.32 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[9.4.0]pentadeca-2,9-diyne is sourced from PubChem (CID 134978450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).