bicyclo[10.3.1]hexadeca-3,9-diyne

C16H22 — CID 134976308

IUPACbicyclo[10.3.1]hexadeca-3,9-diyne
SMILESC1#CCC2CCCC(CC#CCCCC1)C2
InChIInChI=1S/C16H22/c1-2-4-6-8-11-16-13-9-12-15(14-16)10-7-5-3-1/h15-16H,1-4,9-14H2
InChIKeyHWUWZTFQAAQPKK-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.15
Rot. Bonds

About bicyclo[10.3.1]hexadeca-3,9-diyne

bicyclo[10.3.1]hexadeca-3,9-diyne (PubChem CID 134976308) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is bicyclo[10.3.1]hexadeca-3,9-diyne.

Molecular Properties

Compound Namebicyclo[10.3.1]hexadeca-3,9-diyne
PubChem CID134976308
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Namebicyclo[10.3.1]hexadeca-3,9-diyne
SMILESC1#CCC2CCCC(CC#CCCCC1)C2
InChIInChI=1S/C16H22/c1-2-4-6-8-11-16-13-9-12-15(14-16)10-7-5-3-1/h15-16H,1-4,9-14H2
InChIKeyHWUWZTFQAAQPKK-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.15
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-Cyclohexyloct-3-yne
CID 19817989
5-Cyclohexyl-2-methyl-pentin-3
CID 20823880
Bicyclo[9.3.1]pentadecane
CID 90835344
4-Ethyl-1-fluoro-2-prop-1-ynylcyclohexane
CID 143588877
(Pent-4-yn-1-yl)cyclohexane
CID 15172912
2-Butyn-1-ylcyclohexane
CID 58691513
Dodeca-1,3-diynylcyclohexane
CID 11288031
1,3-Bis(prop-2-ynyl)cyclohexane
CID 134885344
1,3-Bis(but-3-ynyl)cyclohexane
CID 134885358
1,4-Bis(but-3-ynyl)cyclohexane
CID 134897485
Tricyclo[14.3.1.06,11]icosa-3,13-diyne
CID 134976309

Frequently Asked Questions

What is the IUPAC name of bicyclo[10.3.1]hexadeca-3,9-diyne?
The IUPAC name of bicyclo[10.3.1]hexadeca-3,9-diyne (CID 134976308) is bicyclo[10.3.1]hexadeca-3,9-diyne.
What is the SMILES notation for bicyclo[10.3.1]hexadeca-3,9-diyne?
The canonical SMILES for bicyclo[10.3.1]hexadeca-3,9-diyne is C1#CCC2CCCC(CC#CCCCC1)C2.
What is the InChIKey of bicyclo[10.3.1]hexadeca-3,9-diyne?
The InChIKey is HWUWZTFQAAQPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-2-4-6-8-11-16-13-9-12-15(14-16)10-7-5-3-1/h15-16H,1-4,9-14H2.
What are the key properties of bicyclo[10.3.1]hexadeca-3,9-diyne?
bicyclo[10.3.1]hexadeca-3,9-diyne has a molecular weight of 214.35 g/mol, XLogP of 4.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[10.3.1]hexadeca-3,9-diyne is sourced from PubChem (CID 134976308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).