nonacyclo[17.2.0.02,5.03,21.04,7.06,9.08,11.010,13.012,15]henicosane

C21H26 — CID 20700610

IUPACnonacyclo[17.2.0.02,5.03,21.04,7.06,9.08,11.010,13.012,15]henicosane
SMILESC1CC2CC3C2C2C3C3C2C2C4C5C6CC(C1)C6C5C4C32
InChIInChI=1S/C21H26/c1-2-6-4-8-10(6)14-12(8)16-18(14)20-17-13-9-5-7(3-1)11(9)15(13)19(17)21(16)20/h6-21H,1-5H2
InChIKeyMLHVNNRELAUPJE-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.92
Rot. Bonds

About nonacyclo[17.2.0.02,5.03,21.04,7.06,9.08,11.010,13.012,15]henicosane

nonacyclo[17.2.0.02,5.03,21.04,7.06,9.08,11.010,13.012,15]henicosane (PubChem CID 20700610) has the molecular formula C21H26 and a molecular weight of 278.44 g/mol. Its IUPAC name is nonacyclo[17.2.0.02,5.03,21.04,7.06,9.08,11.010,13.012,15]henicosane.

Molecular Properties

Compound Namenonacyclo[17.2.0.02,5.03,21.04,7.06,9.08,11.010,13.012,15]henicosane
PubChem CID20700610
Molecular FormulaC21H26
Molecular Weight278.44 g/mol
Exact Mass278.20
IUPAC Namenonacyclo[17.2.0.02,5.03,21.04,7.06,9.08,11.010,13.012,15]henicosane
SMILESC1CC2CC3C2C2C3C3C2C2C4C5C6CC(C1)C6C5C4C32
InChIInChI=1S/C21H26/c1-2-6-4-8-10(6)14-12(8)16-18(14)20-17-13-9-5-7(3-1)11(9)15(13)19(17)21(16)20/h6-21H,1-5H2
InChIKeyMLHVNNRELAUPJE-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze nonacyclo[17.2.0.02,5.03,21.04,7.06,9.08,11.010,13.012,15]henicosane with MolForge

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Related Compounds

hexadecacyclo[22.22.2.03,8.07,12.09,47.010,23.011,20.014,19.018,31.021,30.022,27.025,42.026,39.028,37.029,34.044,48]octatetracontane
CID 140677748
tricosacyclo[27.9.7.79,25.710,20.46,42.228,44.05,39.033,45.035,43.037,41.146,48.014,65.016,63.018,61.024,59.040,50.047,52.049,56.051,58.053,60.054,66.055,62.057,64]hexahexacontane
CID 139213160
heptacyclo[14.7.1.02,14.03,11.04,8.05,23.020,24]tetracosane
CID 91257687
(1R,2R,4S,8S)-tricyclo[6.1.0.02,4]nonane
CID 10964484
tetracyclo[8.2.1.02,9.03,7]tridecane
CID 117070325
tetracyclo[5.1.0.02,4.03,5]octane
CID 12871558
4-cyclopentyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 141155389
tetracyclo[10.2.1.05,14.08,13]pentadecane
CID 13164121
(6R)-2-methylbicyclo[4.1.0]heptane
CID 143188107
tetracyclo[6.3.1.02,6.010,12]dodecane
CID 146743747
octacyclo[17.7.1.04,25.07,24.010,23.013,22.015,20.021,26]heptacosane
CID 101255308
pentacyclo[13.3.1.05,18.08,17.011,16]nonadecane
CID 59725363

Frequently Asked Questions

What is the IUPAC name of nonacyclo[17.2.0.02,5.03,21.04,7.06,9.08,11.010,13.012,15]henicosane?
The IUPAC name of nonacyclo[17.2.0.02,5.03,21.04,7.06,9.08,11.010,13.012,15]henicosane (CID 20700610) is nonacyclo[17.2.0.02,5.03,21.04,7.06,9.08,11.010,13.012,15]henicosane.
What is the SMILES notation for nonacyclo[17.2.0.02,5.03,21.04,7.06,9.08,11.010,13.012,15]henicosane?
The canonical SMILES for nonacyclo[17.2.0.02,5.03,21.04,7.06,9.08,11.010,13.012,15]henicosane is C1CC2CC3C2C2C3C3C2C2C4C5C6CC(C1)C6C5C4C32.
What is the InChIKey of nonacyclo[17.2.0.02,5.03,21.04,7.06,9.08,11.010,13.012,15]henicosane?
The InChIKey is MLHVNNRELAUPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26/c1-2-6-4-8-10(6)14-12(8)16-18(14)20-17-13-9-5-7(3-1)11(9)15(13)19(17)21(16)20/h6-21H,1-5H2.
What are the key properties of nonacyclo[17.2.0.02,5.03,21.04,7.06,9.08,11.010,13.012,15]henicosane?
nonacyclo[17.2.0.02,5.03,21.04,7.06,9.08,11.010,13.012,15]henicosane has a molecular weight of 278.44 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonacyclo[17.2.0.02,5.03,21.04,7.06,9.08,11.010,13.012,15]henicosane is sourced from PubChem (CID 20700610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).