propane;tricyclo[4.2.1.03,7]nonane

C15H30 — CID 91449574

IUPACpropane;tricyclo[4.2.1.03,7]nonane
SMILESC1CC2CC3CC1C2C3.CCC.CCC
InChIInChI=1S/C9H14.2C3H8/c1-2-8-4-6-3-7(1)9(8)5-6;2*1-3-2/h6-9H,1-5H2;2*3H2,1-2H3
InChIKeyICLTWNIMPJIUBG-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.28
Rot. Bonds

About propane;tricyclo[4.2.1.03,7]nonane

propane;tricyclo[4.2.1.03,7]nonane (PubChem CID 91449574) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is propane;tricyclo[4.2.1.03,7]nonane.

Molecular Properties

Compound Namepropane;tricyclo[4.2.1.03,7]nonane
PubChem CID91449574
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Namepropane;tricyclo[4.2.1.03,7]nonane
SMILESC1CC2CC3CC1C2C3.CCC.CCC
InChIInChI=1S/C9H14.2C3H8/c1-2-8-4-6-3-7(1)9(8)5-6;2*1-3-2/h6-9H,1-5H2;2*3H2,1-2H3
InChIKeyICLTWNIMPJIUBG-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze propane;tricyclo[4.2.1.03,7]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

ethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 91434011
(2S)-2-methylbicyclo[2.2.1]heptane;propane
CID 157354285
(1R)-1-[(1R,3S,6R,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethanamine
CID 99948578
2-[3-[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-3-[3-[3-(3-ethyl-2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane
CID 102145393
adamantane;bis(bicyclo[2.2.1]heptane);ethane;propane
CID 160698530
(1S,2R,4R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol
CID 18390289
(1R,2S,4S)-4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol
CID 124771553
(2S)-2-ethylbicyclo[2.2.0]hexane
CID 143524617
tetracyclo[6.2.1.02,5.04,6]undecane
CID 143721490
2-pentan-3-ylbicyclo[3.2.1]octane
CID 90865364
[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-dichloro-propylsilane
CID 90108600
4-cyclohexyltricyclo[4.2.1.03,7]nonane
CID 23132013

Frequently Asked Questions

What is the IUPAC name of propane;tricyclo[4.2.1.03,7]nonane?
The IUPAC name of propane;tricyclo[4.2.1.03,7]nonane (CID 91449574) is propane;tricyclo[4.2.1.03,7]nonane.
What is the SMILES notation for propane;tricyclo[4.2.1.03,7]nonane?
The canonical SMILES for propane;tricyclo[4.2.1.03,7]nonane is C1CC2CC3CC1C2C3.CCC.CCC.
What is the InChIKey of propane;tricyclo[4.2.1.03,7]nonane?
The InChIKey is ICLTWNIMPJIUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14.2C3H8/c1-2-8-4-6-3-7(1)9(8)5-6;2*1-3-2/h6-9H,1-5H2;2*3H2,1-2H3.
What are the key properties of propane;tricyclo[4.2.1.03,7]nonane?
propane;tricyclo[4.2.1.03,7]nonane has a molecular weight of 210.40 g/mol, XLogP of 5.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propane;tricyclo[4.2.1.03,7]nonane is sourced from PubChem (CID 91449574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).