cyclopropylcyclononane

C12H22 — CID 91114630

IUPACcyclopropylcyclononane
SMILESC1CCCCC(C2CC2)CCC1
InChIInChI=1S/C12H22/c1-2-4-6-8-11(7-5-3-1)12-9-10-12/h11-12H,1-10H2
InChIKeyVZNUCNBBMILNDO-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.15
Rot. Bonds1

About cyclopropylcyclononane

cyclopropylcyclononane (PubChem CID 91114630) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is cyclopropylcyclononane.

Molecular Properties

Compound Namecyclopropylcyclononane
PubChem CID91114630
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Namecyclopropylcyclononane
SMILESC1CCCCC(C2CC2)CCC1
InChIInChI=1S/C12H22/c1-2-4-6-8-11(7-5-3-1)12-9-10-12/h11-12H,1-10H2
InChIKeyVZNUCNBBMILNDO-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclopropylcyclononane?
The IUPAC name of cyclopropylcyclononane (CID 91114630) is cyclopropylcyclononane.
What is the SMILES notation for cyclopropylcyclononane?
The canonical SMILES for cyclopropylcyclononane is C1CCCCC(C2CC2)CCC1.
What is the InChIKey of cyclopropylcyclononane?
The InChIKey is VZNUCNBBMILNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-2-4-6-8-11(7-5-3-1)12-9-10-12/h11-12H,1-10H2.
What are the key properties of cyclopropylcyclononane?
cyclopropylcyclononane has a molecular weight of 166.31 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylcyclononane is sourced from PubChem (CID 91114630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).