(17R)-14,17-dimethyl-9-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicos-7-ene

C24H36 — CID 142981634

IUPAC(17R)-14,17-dimethyl-9-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicos-7-ene
SMILESC=C1C=CCC2CCC3C4CCC5C[C@H](C)CCC5(C)C4CCC123
InChIInChI=1S/C24H36/c1-16-11-13-23(3)19(15-16)7-9-20-21(23)12-14-24-17(2)5-4-6-18(24)8-10-22(20)24/h4-5,16,18-22H,2,6-15H2,1,3H3/t16-,18?,19?,20?,21?,22?,23?,24?/m1/s1
InChIKeyMIOFGYMORIXQEF-CAOOATLISA-N
MW324.55 g/mol
LogP6.78
Rot. Bonds

About (17R)-14,17-dimethyl-9-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicos-7-ene

(17R)-14,17-dimethyl-9-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicos-7-ene (PubChem CID 142981634) has the molecular formula C24H36 and a molecular weight of 324.55 g/mol. Its IUPAC name is (17R)-14,17-dimethyl-9-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicos-7-ene.

Molecular Properties

Compound Name(17R)-14,17-dimethyl-9-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicos-7-ene
PubChem CID142981634
Molecular FormulaC24H36
Molecular Weight324.55 g/mol
Exact Mass324.28
IUPAC Name(17R)-14,17-dimethyl-9-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicos-7-ene
SMILESC=C1C=CCC2CCC3C4CCC5C[C@H](C)CCC5(C)C4CCC123
InChIInChI=1S/C24H36/c1-16-11-13-23(3)19(15-16)7-9-20-21(23)12-14-24-17(2)5-4-6-18(24)8-10-22(20)24/h4-5,16,18-22H,2,6-15H2,1,3H3/t16-,18?,19?,20?,21?,22?,23?,24?/m1/s1
InChIKeyMIOFGYMORIXQEF-CAOOATLISA-N
XLogP6.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (17R)-14,17-dimethyl-9-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicos-7-ene with MolForge

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Related Compounds

(8R,9R,10S,13S,14S)-16-chloro-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol
CID 70359591
N,N,3,10,13-pentamethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-amine
CID 174182390
(8S,9R,10S,13R,14S,17S)-17-ethyl-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 173313669
(5S,9S,14S)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 144770420
(3S,10S,13S)-3,10,13-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 122644558
3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid
CID 78046402
ethane;1-[(13S,17S)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CID 145168950
3-[(3S,10S,13S)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyridine
CID 122644566
2-bromo-1-[(13S,17S)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CID 134180010
2-bromo-1-[(3S,5R,8R,10S,13S,17S)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CID 145065347
(4-methoxyphenyl)-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)methanone
CID 145087875
(3,5-dimethoxyphenyl)-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)methanone
CID 145087721

Frequently Asked Questions

What is the IUPAC name of (17R)-14,17-dimethyl-9-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicos-7-ene?
The IUPAC name of (17R)-14,17-dimethyl-9-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicos-7-ene (CID 142981634) is (17R)-14,17-dimethyl-9-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicos-7-ene.
What is the SMILES notation for (17R)-14,17-dimethyl-9-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicos-7-ene?
The canonical SMILES for (17R)-14,17-dimethyl-9-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicos-7-ene is C=C1C=CCC2CCC3C4CCC5C[C@H](C)CCC5(C)C4CCC123.
What is the InChIKey of (17R)-14,17-dimethyl-9-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicos-7-ene?
The InChIKey is MIOFGYMORIXQEF-CAOOATLISA-N. The full InChI is InChI=1S/C24H36/c1-16-11-13-23(3)19(15-16)7-9-20-21(23)12-14-24-17(2)5-4-6-18(24)8-10-22(20)24/h4-5,16,18-22H,2,6-15H2,1,3H3/t16-,18?,19?,20?,21?,22?,23?,24?/m1/s1.
What are the key properties of (17R)-14,17-dimethyl-9-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicos-7-ene?
(17R)-14,17-dimethyl-9-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicos-7-ene has a molecular weight of 324.55 g/mol, XLogP of 6.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (17R)-14,17-dimethyl-9-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicos-7-ene is sourced from PubChem (CID 142981634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).