cyclopentadecylmethylcyclopentadecane

C31H60 — CID 91804599

IUPACcyclopentadecylmethylcyclopentadecane
SMILESC1CCCCCCCC(CC2CCCCCCCCCCCCCC2)CCCCCC1
InChIInChI=1S/C31H60/c1-2-6-10-14-18-22-26-30(25-21-17-13-9-5-1)29-31-27-23-19-15-11-7-3-4-8-12-16-20-24-28-31/h30-31H,1-29H2
InChIKeyMPTAFNQUHYDQGC-UHFFFAOYSA-N
MW432.82 g/mol
LogP11.56
Rot. Bonds2

About cyclopentadecylmethylcyclopentadecane

cyclopentadecylmethylcyclopentadecane (PubChem CID 91804599) has the molecular formula C31H60 and a molecular weight of 432.82 g/mol. Its IUPAC name is cyclopentadecylmethylcyclopentadecane.

Molecular Properties

Compound Namecyclopentadecylmethylcyclopentadecane
PubChem CID91804599
Molecular FormulaC31H60
Molecular Weight432.82 g/mol
Exact Mass432.47
IUPAC Namecyclopentadecylmethylcyclopentadecane
SMILESC1CCCCCCCC(CC2CCCCCCCCCCCCCC2)CCCCCC1
InChIInChI=1S/C31H60/c1-2-6-10-14-18-22-26-30(25-21-17-13-9-5-1)29-31-27-23-19-15-11-7-3-4-8-12-16-20-24-28-31/h30-31H,1-29H2
InChIKeyMPTAFNQUHYDQGC-UHFFFAOYSA-N
XLogP11.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.82
LogP ≤ 511.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclopentadecylmethylcyclopentadecane?
The IUPAC name of cyclopentadecylmethylcyclopentadecane (CID 91804599) is cyclopentadecylmethylcyclopentadecane.
What is the SMILES notation for cyclopentadecylmethylcyclopentadecane?
The canonical SMILES for cyclopentadecylmethylcyclopentadecane is C1CCCCCCCC(CC2CCCCCCCCCCCCCC2)CCCCCC1.
What is the InChIKey of cyclopentadecylmethylcyclopentadecane?
The InChIKey is MPTAFNQUHYDQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H60/c1-2-6-10-14-18-22-26-30(25-21-17-13-9-5-1)29-31-27-23-19-15-11-7-3-4-8-12-16-20-24-28-31/h30-31H,1-29H2.
What are the key properties of cyclopentadecylmethylcyclopentadecane?
cyclopentadecylmethylcyclopentadecane has a molecular weight of 432.82 g/mol, XLogP of 11.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentadecylmethylcyclopentadecane is sourced from PubChem (CID 91804599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).