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

Analyze 8-propyltetracyclo[5.1.1.01,3.03,5]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethyl-2,3,5-trimethyltetracyclo[5.3.1.01,5.03,9]undecane
CID 90921335
2-propyladamantan-1-amine
CID 70624849
1-methyl-6-propyl-3-azabicyclo[3.1.1]heptane
CID 138707050
cis-(2S,3R)-1,1-dichloro-2,3-dipropylcyclopropane
CID 134889174
1,2-dimethyl-4-propylbicyclo[1.1.1]pentane
CID 91437599
10-ethoxytetracyclo[7.2.1.01,10.02,7]dodecane
CID 91475760
1,1-dimethyl-3-propylcyclobutane
CID 19073360
1,1-dichloro-2-methyl-3-propylcyclopropane
CID 13285011
1,1-dibromo-2-propylcyclopropane
CID 13198577
1-bromo-2-propylaziridine
CID 544623
butane;methane;tetracyclo[2.1.0.01,3.02,5]pentane
CID 157129502
(2S,3R,3'R,4S)-3'-propylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
CID 170439916

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).