8-propyltetracyclo[5.1.1.01,3.03,5]nonane

C12H18 — CID 123869188

IUPAC8-propyltetracyclo[5.1.1.01,3.03,5]nonane
SMILESCCCC1C2CC3CC34CC14C2
InChIInChI=1S/C12H18/c1-2-3-10-8-4-9-6-11(9)7-12(10,11)5-8/h8-10H,2-7H2,1H3
InChIKeyNLCIFUXRRSHESL-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.22
Rot. Bonds2

About 8-propyltetracyclo[5.1.1.01,3.03,5]nonane

8-propyltetracyclo[5.1.1.01,3.03,5]nonane (PubChem CID 123869188) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 8-propyltetracyclo[5.1.1.01,3.03,5]nonane.

Molecular Properties

Compound Name8-propyltetracyclo[5.1.1.01,3.03,5]nonane
PubChem CID123869188
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name8-propyltetracyclo[5.1.1.01,3.03,5]nonane
SMILESCCCC1C2CC3CC34CC14C2
InChIInChI=1S/C12H18/c1-2-3-10-8-4-9-6-11(9)7-12(10,11)5-8/h8-10H,2-7H2,1H3
InChIKeyNLCIFUXRRSHESL-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 8-propyltetracyclo[5.1.1.01,3.03,5]nonane?
The IUPAC name of 8-propyltetracyclo[5.1.1.01,3.03,5]nonane (CID 123869188) is 8-propyltetracyclo[5.1.1.01,3.03,5]nonane.
What is the SMILES notation for 8-propyltetracyclo[5.1.1.01,3.03,5]nonane?
The canonical SMILES for 8-propyltetracyclo[5.1.1.01,3.03,5]nonane is CCCC1C2CC3CC34CC14C2.
What is the InChIKey of 8-propyltetracyclo[5.1.1.01,3.03,5]nonane?
The InChIKey is NLCIFUXRRSHESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-2-3-10-8-4-9-6-11(9)7-12(10,11)5-8/h8-10H,2-7H2,1H3.
What are the key properties of 8-propyltetracyclo[5.1.1.01,3.03,5]nonane?
8-propyltetracyclo[5.1.1.01,3.03,5]nonane has a molecular weight of 162.28 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propyltetracyclo[5.1.1.01,3.03,5]nonane is sourced from PubChem (CID 123869188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).