bicyclo[9.3.1]pentadecane

C15H28 — CID 90835344

IUPACbicyclo[9.3.1]pentadecane
SMILESC1CCCCC2CCCC(CCCC1)C2
InChIInChI=1S/C15H28/c1-2-4-6-9-14-11-8-12-15(13-14)10-7-5-3-1/h14-15H,1-13H2
InChIKeyRJFWASAVZQQGQH-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.32
Rot. Bonds

About bicyclo[9.3.1]pentadecane

bicyclo[9.3.1]pentadecane (PubChem CID 90835344) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is bicyclo[9.3.1]pentadecane.

Molecular Properties

Compound Namebicyclo[9.3.1]pentadecane
PubChem CID90835344
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Namebicyclo[9.3.1]pentadecane
SMILESC1CCCCC2CCCC(CCCC1)C2
InChIInChI=1S/C15H28/c1-2-4-6-9-14-11-8-12-15(13-14)10-7-5-3-1/h14-15H,1-13H2
InChIKeyRJFWASAVZQQGQH-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[9.3.1]pentadecane?
The IUPAC name of bicyclo[9.3.1]pentadecane (CID 90835344) is bicyclo[9.3.1]pentadecane.
What is the SMILES notation for bicyclo[9.3.1]pentadecane?
The canonical SMILES for bicyclo[9.3.1]pentadecane is C1CCCCC2CCCC(CCCC1)C2.
What is the InChIKey of bicyclo[9.3.1]pentadecane?
The InChIKey is RJFWASAVZQQGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-2-4-6-9-14-11-8-12-15(13-14)10-7-5-3-1/h14-15H,1-13H2.
What are the key properties of bicyclo[9.3.1]pentadecane?
bicyclo[9.3.1]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[9.3.1]pentadecane is sourced from PubChem (CID 90835344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).