decacyclo[9.9.1.02,5.03,20.04,7.06,9.013,16.015,18.017,21.019,21]henicosane

C21H24 — CID 54238278

IUPACdecacyclo[9.9.1.02,5.03,20.04,7.06,9.013,16.015,18.017,21.019,21]henicosane
SMILESC1C2CC3CC4CC5C4C4C5C5C6C7C8C1C2C8C7C6C345
InChIInChI=1S/C21H24/c1-5-3-8-10(5)14-12(8)15-16(14)20-17(15)19-13-9-4-6-2-7(1)21(19,20)18(13)11(6)9/h5-20H,1-4H2
InChIKeyQODHUGVRMWGDKL-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.53
Rot. Bonds

About decacyclo[9.9.1.02,5.03,20.04,7.06,9.013,16.015,18.017,21.019,21]henicosane

decacyclo[9.9.1.02,5.03,20.04,7.06,9.013,16.015,18.017,21.019,21]henicosane (PubChem CID 54238278) has the molecular formula C21H24 and a molecular weight of 276.42 g/mol. Its IUPAC name is decacyclo[9.9.1.02,5.03,20.04,7.06,9.013,16.015,18.017,21.019,21]henicosane.

Molecular Properties

Compound Namedecacyclo[9.9.1.02,5.03,20.04,7.06,9.013,16.015,18.017,21.019,21]henicosane
PubChem CID54238278
Molecular FormulaC21H24
Molecular Weight276.42 g/mol
Exact Mass276.19
IUPAC Namedecacyclo[9.9.1.02,5.03,20.04,7.06,9.013,16.015,18.017,21.019,21]henicosane
SMILESC1C2CC3CC4CC5C4C4C5C5C6C7C8C1C2C8C7C6C345
InChIInChI=1S/C21H24/c1-5-3-8-10(5)14-12(8)15-16(14)20-17(15)19-13-9-4-6-2-7(1)21(19,20)18(13)11(6)9/h5-20H,1-4H2
InChIKeyQODHUGVRMWGDKL-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze decacyclo[9.9.1.02,5.03,20.04,7.06,9.013,16.015,18.017,21.019,21]henicosane with MolForge

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Related Compounds

nonacyclo[17.2.0.02,5.03,21.04,7.06,9.08,11.010,13.012,15]henicosane
CID 20700610
tetracyclo[5.1.0.02,4.03,5]octane
CID 12871558
CID 169426406
CID 169426406
heptacyclo[8.7.0.02,9.03,7.05,14.011,17.012,16]heptadecane
CID 90855618
[(1S,2R,3R,4R,6S,7R,8S,9R,10S,12R)-5-(hydroxymethyl)-5-hexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecanyl]methanol
CID 124791229
(6R)-pentacyclo[5.4.0.02,6.03,5.08,10]undecane
CID 163852923
(1S,3R,4R,5R,7S,8S,9S,10S,12R)-pentacyclo[5.4.1.03,10.04,12.05,9]dodecan-8-ol
CID 131037378
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
3-(1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl)cyclopentan-1-one
CID 10405132
heptacyclo[10.3.1.01,11.02,10.03,9.04,8.06,14]hexadecane
CID 123959771
4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 565737
4-ethenyldecacyclo[9.9.0.02,18.03,10.04,17.05,9.06,16.07,14.08,12.013,20]icosane
CID 14265364

Frequently Asked Questions

What is the IUPAC name of decacyclo[9.9.1.02,5.03,20.04,7.06,9.013,16.015,18.017,21.019,21]henicosane?
The IUPAC name of decacyclo[9.9.1.02,5.03,20.04,7.06,9.013,16.015,18.017,21.019,21]henicosane (CID 54238278) is decacyclo[9.9.1.02,5.03,20.04,7.06,9.013,16.015,18.017,21.019,21]henicosane.
What is the SMILES notation for decacyclo[9.9.1.02,5.03,20.04,7.06,9.013,16.015,18.017,21.019,21]henicosane?
The canonical SMILES for decacyclo[9.9.1.02,5.03,20.04,7.06,9.013,16.015,18.017,21.019,21]henicosane is C1C2CC3CC4CC5C4C4C5C5C6C7C8C1C2C8C7C6C345.
What is the InChIKey of decacyclo[9.9.1.02,5.03,20.04,7.06,9.013,16.015,18.017,21.019,21]henicosane?
The InChIKey is QODHUGVRMWGDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24/c1-5-3-8-10(5)14-12(8)15-16(14)20-17(15)19-13-9-4-6-2-7(1)21(19,20)18(13)11(6)9/h5-20H,1-4H2.
What are the key properties of decacyclo[9.9.1.02,5.03,20.04,7.06,9.013,16.015,18.017,21.019,21]henicosane?
decacyclo[9.9.1.02,5.03,20.04,7.06,9.013,16.015,18.017,21.019,21]henicosane has a molecular weight of 276.42 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for decacyclo[9.9.1.02,5.03,20.04,7.06,9.013,16.015,18.017,21.019,21]henicosane is sourced from PubChem (CID 54238278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).