7,10,12,13-tetramethyl-17-propan-2-yl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene

C24H38 — CID 20707704

IUPAC7,10,12,13-tetramethyl-17-propan-2-yl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
SMILESCC1=C2C(CC(C)C3(C)C2CCC3C(C)C)C2(C)CCCCC2=C1
InChIInChI=1S/C24H38/c1-15(2)19-10-11-20-22-16(3)13-18-9-7-8-12-23(18,5)21(22)14-17(4)24(19,20)6/h13,15,17,19-21H,7-12,14H2,1-6H3
InChIKeyUPCXGXDXXBMCEB-UHFFFAOYSA-N
MW326.57 g/mol
LogP7.17
Rot. Bonds1

About 7,10,12,13-tetramethyl-17-propan-2-yl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene

7,10,12,13-tetramethyl-17-propan-2-yl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene (PubChem CID 20707704) has the molecular formula C24H38 and a molecular weight of 326.57 g/mol. Its IUPAC name is 7,10,12,13-tetramethyl-17-propan-2-yl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene.

Molecular Properties

Compound Name7,10,12,13-tetramethyl-17-propan-2-yl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
PubChem CID20707704
Molecular FormulaC24H38
Molecular Weight326.57 g/mol
Exact Mass326.30
IUPAC Name7,10,12,13-tetramethyl-17-propan-2-yl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
SMILESCC1=C2C(CC(C)C3(C)C2CCC3C(C)C)C2(C)CCCCC2=C1
InChIInChI=1S/C24H38/c1-15(2)19-10-11-20-22-16(3)13-18-9-7-8-12-23(18,5)21(22)14-17(4)24(19,20)6/h13,15,17,19-21H,7-12,14H2,1-6H3
InChIKeyUPCXGXDXXBMCEB-UHFFFAOYSA-N
XLogP7.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.57
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,7aS)-7a-methyl-1-propan-2-yl-2,3,6,7-tetrahydro-1H-inden-5-one
CID 101484250
(1R,2R,8aR)-8a-methyl-1-propan-2-yl-2,4,5,6,7,8-hexahydro-1H-azulen-2-ol
CID 101243398
[(9R,10R,13R,14S)-7-amino-10-methyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-13-yl]methanediol
CID 69493035
(6S,6aS)-6a-methyl-6-propan-2-yl-1,4,5,6-tetrahydropentalen-2-one
CID 11564556
(2S)-4,4a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
CID 176717147
4,4a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
CID 130149133
(4aR,5R)-4a,5-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 12704992
8a-methyl-2,2a,3,5,6,7,8,8b-octahydro-1H-cyclobuta[a]naphthalene
CID 143187513
3,4,4,10,13-pentamethyl-17-propan-2-yl-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene
CID 143115274
(3R,3aR)-8-hydroxy-3a-methyl-3-propan-2-yl-2,3,4,5,6,7-hexahydroazulen-1-one
CID 16719355
(8S,9S,10R,13R,14S,17R)-17-[(2R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
CID 70181573
(8S,9S,10R,13R,14S,17S)-17-[(2S,6S)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
CID 162985572

Frequently Asked Questions

What is the IUPAC name of 7,10,12,13-tetramethyl-17-propan-2-yl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene?
The IUPAC name of 7,10,12,13-tetramethyl-17-propan-2-yl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene (CID 20707704) is 7,10,12,13-tetramethyl-17-propan-2-yl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene.
What is the SMILES notation for 7,10,12,13-tetramethyl-17-propan-2-yl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene?
The canonical SMILES for 7,10,12,13-tetramethyl-17-propan-2-yl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene is CC1=C2C(CC(C)C3(C)C2CCC3C(C)C)C2(C)CCCCC2=C1.
What is the InChIKey of 7,10,12,13-tetramethyl-17-propan-2-yl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene?
The InChIKey is UPCXGXDXXBMCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38/c1-15(2)19-10-11-20-22-16(3)13-18-9-7-8-12-23(18,5)21(22)14-17(4)24(19,20)6/h13,15,17,19-21H,7-12,14H2,1-6H3.
What are the key properties of 7,10,12,13-tetramethyl-17-propan-2-yl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene?
7,10,12,13-tetramethyl-17-propan-2-yl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene has a molecular weight of 326.57 g/mol, XLogP of 7.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10,12,13-tetramethyl-17-propan-2-yl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene is sourced from PubChem (CID 20707704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).