(3R,5S,7R,9S,10S,12R,16R,18S,20R,22S,23S,25R)-dodecacyclo[12.12.0.01,6.02,23.03,20.05,18.07,16.09,26.010,15.012,25.013,22.014,19]hexacosane

C26H30 — CID 163021174

IUPAC(3R,5S,7R,9S,10S,12R,16R,18S,20R,22S,23S,25R)-dodecacyclo[12.12.0.01,6.02,23.03,20.05,18.07,16.09,26.010,15.012,25.013,22.014,19]hexacosane
SMILESC1[C@@H]2C3[C@@H]4C[C@@H]5C6[C@@H]7C[C@@H]8C9[C@H]1[C@H]1C[C@@H]8C8[C@@H]7C[C@@H]5C5[C@@H]4C[C@@H]2C1C58C936
InChIInChI=1S/C26H30/c1-7-9-2-13-11-4-15-17-6-18-16-5-12-14-3-10-8(1)20(12)25(19(7)11,22(15)16)26(21(9)10,23(13)17)24(14)18/h7-24H,1-6H2/t7-,8+,9-,10+,11+,12-,13+,14-,15-,16+,17-,18+,19?,20?,21?,22?,23?,24?,25?,26?
InChIKeyZPYAFALRWQDRPH-WVAZPKSISA-N
MW342.53 g/mol
LogP4.55
Rot. Bonds

About (3R,5S,7R,9S,10S,12R,16R,18S,20R,22S,23S,25R)-dodecacyclo[12.12.0.01,6.02,23.03,20.05,18.07,16.09,26.010,15.012,25.013,22.014,19]hexacosane

(3R,5S,7R,9S,10S,12R,16R,18S,20R,22S,23S,25R)-dodecacyclo[12.12.0.01,6.02,23.03,20.05,18.07,16.09,26.010,15.012,25.013,22.014,19]hexacosane (PubChem CID 163021174) has the molecular formula C26H30 and a molecular weight of 342.53 g/mol. Its IUPAC name is (3R,5S,7R,9S,10S,12R,16R,18S,20R,22S,23S,25R)-dodecacyclo[12.12.0.01,6.02,23.03,20.05,18.07,16.09,26.010,15.012,25.013,22.014,19]hexacosane.

Molecular Properties

Compound Name(3R,5S,7R,9S,10S,12R,16R,18S,20R,22S,23S,25R)-dodecacyclo[12.12.0.01,6.02,23.03,20.05,18.07,16.09,26.010,15.012,25.013,22.014,19]hexacosane
PubChem CID163021174
Molecular FormulaC26H30
Molecular Weight342.53 g/mol
Exact Mass342.23
IUPAC Name(3R,5S,7R,9S,10S,12R,16R,18S,20R,22S,23S,25R)-dodecacyclo[12.12.0.01,6.02,23.03,20.05,18.07,16.09,26.010,15.012,25.013,22.014,19]hexacosane
SMILESC1[C@@H]2C3[C@@H]4C[C@@H]5C6[C@@H]7C[C@@H]8C9[C@H]1[C@H]1C[C@@H]8C8[C@@H]7C[C@@H]5C5[C@@H]4C[C@@H]2C1C58C936
InChIInChI=1S/C26H30/c1-7-9-2-13-11-4-15-17-6-18-16-5-12-14-3-10-8(1)20(12)25(19(7)11,22(15)16)26(21(9)10,23(13)17)24(14)18/h7-24H,1-6H2/t7-,8+,9-,10+,11+,12-,13+,14-,15-,16+,17-,18+,19?,20?,21?,22?,23?,24?,25?,26?
InChIKeyZPYAFALRWQDRPH-WVAZPKSISA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (3R,5S,7R,9S,10S,12R,16R,18S,20R,22S,23S,25R)-dodecacyclo[12.12.0.01,6.02,23.03,20.05,18.07,16.09,26.010,15.012,25.013,22.014,19]hexacosane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,5S,7R,9S,10S,12R,16R,18S,20R,22S,23S,25R)-dodecacyclo[12.12.0.01,6.02,23.03,20.05,18.07,16.09,26.010,15.012,25.013,22.014,19]hexacosane?
The IUPAC name of (3R,5S,7R,9S,10S,12R,16R,18S,20R,22S,23S,25R)-dodecacyclo[12.12.0.01,6.02,23.03,20.05,18.07,16.09,26.010,15.012,25.013,22.014,19]hexacosane (CID 163021174) is (3R,5S,7R,9S,10S,12R,16R,18S,20R,22S,23S,25R)-dodecacyclo[12.12.0.01,6.02,23.03,20.05,18.07,16.09,26.010,15.012,25.013,22.014,19]hexacosane.
What is the SMILES notation for (3R,5S,7R,9S,10S,12R,16R,18S,20R,22S,23S,25R)-dodecacyclo[12.12.0.01,6.02,23.03,20.05,18.07,16.09,26.010,15.012,25.013,22.014,19]hexacosane?
The canonical SMILES for (3R,5S,7R,9S,10S,12R,16R,18S,20R,22S,23S,25R)-dodecacyclo[12.12.0.01,6.02,23.03,20.05,18.07,16.09,26.010,15.012,25.013,22.014,19]hexacosane is C1[C@@H]2C3[C@@H]4C[C@@H]5C6[C@@H]7C[C@@H]8C9[C@H]1[C@H]1C[C@@H]8C8[C@@H]7C[C@@H]5C5[C@@H]4C[C@@H]2C1C58C936.
What is the InChIKey of (3R,5S,7R,9S,10S,12R,16R,18S,20R,22S,23S,25R)-dodecacyclo[12.12.0.01,6.02,23.03,20.05,18.07,16.09,26.010,15.012,25.013,22.014,19]hexacosane?
The InChIKey is ZPYAFALRWQDRPH-WVAZPKSISA-N. The full InChI is InChI=1S/C26H30/c1-7-9-2-13-11-4-15-17-6-18-16-5-12-14-3-10-8(1)20(12)25(19(7)11,22(15)16)26(21(9)10,23(13)17)24(14)18/h7-24H,1-6H2/t7-,8+,9-,10+,11+,12-,13+,14-,15-,16+,17-,18+,19?,20?,21?,22?,23?,24?,25?,26?.
What are the key properties of (3R,5S,7R,9S,10S,12R,16R,18S,20R,22S,23S,25R)-dodecacyclo[12.12.0.01,6.02,23.03,20.05,18.07,16.09,26.010,15.012,25.013,22.014,19]hexacosane?
(3R,5S,7R,9S,10S,12R,16R,18S,20R,22S,23S,25R)-dodecacyclo[12.12.0.01,6.02,23.03,20.05,18.07,16.09,26.010,15.012,25.013,22.014,19]hexacosane has a molecular weight of 342.53 g/mol, XLogP of 4.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S,7R,9S,10S,12R,16R,18S,20R,22S,23S,25R)-dodecacyclo[12.12.0.01,6.02,23.03,20.05,18.07,16.09,26.010,15.012,25.013,22.014,19]hexacosane is sourced from PubChem (CID 163021174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).