bicyclo[5.5.3]pentadecane

C15H28 — CID 59938678

IUPACbicyclo[5.5.3]pentadecane
SMILESC1CCC2CCCCCC(CC1)CCC2
InChIInChI=1S/C15H28/c1-3-8-14-10-5-2-6-11-15(9-4-1)13-7-12-14/h14-15H,1-13H2
InChIKeyMTUUHWDRIAQFGQ-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.32
Rot. Bonds

About bicyclo[5.5.3]pentadecane

bicyclo[5.5.3]pentadecane (PubChem CID 59938678) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is bicyclo[5.5.3]pentadecane.

Molecular Properties

Compound Namebicyclo[5.5.3]pentadecane
PubChem CID59938678
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Namebicyclo[5.5.3]pentadecane
SMILESC1CCC2CCCCCC(CC1)CCC2
InChIInChI=1S/C15H28/c1-3-8-14-10-5-2-6-11-15(9-4-1)13-7-12-14/h14-15H,1-13H2
InChIKeyMTUUHWDRIAQFGQ-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bicyclo[5.5.3]pentadecane?
The IUPAC name of bicyclo[5.5.3]pentadecane (CID 59938678) is bicyclo[5.5.3]pentadecane.
What is the SMILES notation for bicyclo[5.5.3]pentadecane?
The canonical SMILES for bicyclo[5.5.3]pentadecane is C1CCC2CCCCCC(CC1)CCC2.
What is the InChIKey of bicyclo[5.5.3]pentadecane?
The InChIKey is MTUUHWDRIAQFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-3-8-14-10-5-2-6-11-15(9-4-1)13-7-12-14/h14-15H,1-13H2.
What are the key properties of bicyclo[5.5.3]pentadecane?
bicyclo[5.5.3]pentadecane has a molecular weight of 208.39 g/mol, XLogP of 5.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[5.5.3]pentadecane is sourced from PubChem (CID 59938678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).