(5R,6R,13S,18R)-13-methyl-6-propylpentacyclo[10.8.0.02,9.05,9.013,18]icosane

C24H40 — CID 123728244

IUPAC(5R,6R,13S,18R)-13-methyl-6-propylpentacyclo[10.8.0.02,9.05,9.013,18]icosane
SMILESCCC[C@@H]1CCC23CCC4C(CC[C@H]5CCCC[C@]45C)C2CC[C@H]13
InChIInChI=1S/C24H40/c1-3-6-17-12-15-24-16-13-21-19(22(24)11-10-20(17)24)9-8-18-7-4-5-14-23(18,21)2/h17-22H,3-16H2,1-2H3/t17-,18-,19?,20-,21?,22?,23+,24?/m1/s1
InChIKeyNEQGMEXGIXPYCA-OCBPJMOVSA-N
MW328.58 g/mol
LogP7.23
Rot. Bonds2

About (5R,6R,13S,18R)-13-methyl-6-propylpentacyclo[10.8.0.02,9.05,9.013,18]icosane

(5R,6R,13S,18R)-13-methyl-6-propylpentacyclo[10.8.0.02,9.05,9.013,18]icosane (PubChem CID 123728244) has the molecular formula C24H40 and a molecular weight of 328.58 g/mol. Its IUPAC name is (5R,6R,13S,18R)-13-methyl-6-propylpentacyclo[10.8.0.02,9.05,9.013,18]icosane.

Molecular Properties

Compound Name(5R,6R,13S,18R)-13-methyl-6-propylpentacyclo[10.8.0.02,9.05,9.013,18]icosane
PubChem CID123728244
Molecular FormulaC24H40
Molecular Weight328.58 g/mol
Exact Mass328.31
IUPAC Name(5R,6R,13S,18R)-13-methyl-6-propylpentacyclo[10.8.0.02,9.05,9.013,18]icosane
SMILESCCC[C@@H]1CCC23CCC4C(CC[C@H]5CCCC[C@]45C)C2CC[C@H]13
InChIInChI=1S/C24H40/c1-3-6-17-12-15-24-16-13-21-19(22(24)11-10-20(17)24)9-8-18-7-4-5-14-23(18,21)2/h17-22H,3-16H2,1-2H3/t17-,18-,19?,20-,21?,22?,23+,24?/m1/s1
InChIKeyNEQGMEXGIXPYCA-OCBPJMOVSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.58
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (5R,6R,13S,18R)-13-methyl-6-propylpentacyclo[10.8.0.02,9.05,9.013,18]icosane with MolForge

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Related Compounds

(1R,2S,5S,13S,14S)-14-methylpentacyclo[11.8.0.02,10.05,10.014,19]henicosane
CID 173088711
(5S,10R,14S)-14-methylpentacyclo[11.8.0.02,10.05,10.014,19]henicosane
CID 142981610
(5R,8S,9S,10S,13R,14S,17S)-10,13-dimethyl-17-propyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 154119295
(10S,17S)-10,13-dimethyl-17-propyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 145022140
11-methylpentacyclo[8.8.0.02,7.05,7.011,16]octadecane
CID 172568187
3-(12-methyl-6-pentacyclo[9.8.0.02,8.05,8.012,17]nonadecanyl)propanoic acid
CID 143867871
(10S,13R,17S)-17-butyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 145261158
1-[(5R,8R,9S,10S,13R,14S,17S)-13-(hydroxymethyl)-10-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol
CID 22213858
(8R,9S,10S,13S,14S)-13-ethyl-10-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide
CID 70066274
1-(13-ethyl-10-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanol
CID 171642602
(8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;hydrate
CID 174872593
(13R)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;methanamine
CID 143162291

Frequently Asked Questions

What is the IUPAC name of (5R,6R,13S,18R)-13-methyl-6-propylpentacyclo[10.8.0.02,9.05,9.013,18]icosane?
The IUPAC name of (5R,6R,13S,18R)-13-methyl-6-propylpentacyclo[10.8.0.02,9.05,9.013,18]icosane (CID 123728244) is (5R,6R,13S,18R)-13-methyl-6-propylpentacyclo[10.8.0.02,9.05,9.013,18]icosane.
What is the SMILES notation for (5R,6R,13S,18R)-13-methyl-6-propylpentacyclo[10.8.0.02,9.05,9.013,18]icosane?
The canonical SMILES for (5R,6R,13S,18R)-13-methyl-6-propylpentacyclo[10.8.0.02,9.05,9.013,18]icosane is CCC[C@@H]1CCC23CCC4C(CC[C@H]5CCCC[C@]45C)C2CC[C@H]13.
What is the InChIKey of (5R,6R,13S,18R)-13-methyl-6-propylpentacyclo[10.8.0.02,9.05,9.013,18]icosane?
The InChIKey is NEQGMEXGIXPYCA-OCBPJMOVSA-N. The full InChI is InChI=1S/C24H40/c1-3-6-17-12-15-24-16-13-21-19(22(24)11-10-20(17)24)9-8-18-7-4-5-14-23(18,21)2/h17-22H,3-16H2,1-2H3/t17-,18-,19?,20-,21?,22?,23+,24?/m1/s1.
What are the key properties of (5R,6R,13S,18R)-13-methyl-6-propylpentacyclo[10.8.0.02,9.05,9.013,18]icosane?
(5R,6R,13S,18R)-13-methyl-6-propylpentacyclo[10.8.0.02,9.05,9.013,18]icosane has a molecular weight of 328.58 g/mol, XLogP of 7.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R,13S,18R)-13-methyl-6-propylpentacyclo[10.8.0.02,9.05,9.013,18]icosane is sourced from PubChem (CID 123728244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).