3,10,12,13,16,16,17-heptamethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthrene

C24H42 — CID 22958862

IUPAC3,10,12,13,16,16,17-heptamethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthrene
SMILESCC1CCC2(C)C(CCC3C2CC(C)C2(C)C3CC(C)(C)C2C)C1
InChIInChI=1S/C24H42/c1-15-10-11-23(6)18(12-15)8-9-19-20(23)13-16(2)24(7)17(3)22(4,5)14-21(19)24/h15-21H,8-14H2,1-7H3
InChIKeyCCTNZVDGWBGADP-UHFFFAOYSA-N
MW330.60 g/mol
LogP7.18
Rot. Bonds

About 3,10,12,13,16,16,17-heptamethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthrene

3,10,12,13,16,16,17-heptamethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthrene (PubChem CID 22958862) has the molecular formula C24H42 and a molecular weight of 330.60 g/mol. Its IUPAC name is 3,10,12,13,16,16,17-heptamethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthrene.

Molecular Properties

Compound Name3,10,12,13,16,16,17-heptamethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthrene
PubChem CID22958862
Molecular FormulaC24H42
Molecular Weight330.60 g/mol
Exact Mass330.33
IUPAC Name3,10,12,13,16,16,17-heptamethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthrene
SMILESCC1CCC2(C)C(CCC3C2CC(C)C2(C)C3CC(C)(C)C2C)C1
InChIInChI=1S/C24H42/c1-15-10-11-23(6)18(12-15)8-9-19-20(23)13-16(2)24(7)17(3)22(4,5)14-21(19)24/h15-21H,8-14H2,1-7H3
InChIKeyCCTNZVDGWBGADP-UHFFFAOYSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.60
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,10,12,13,16,16,17-heptamethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthrene with MolForge

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Related Compounds

(3S,11bS)-3,9,9,10,10a,11,11b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,10,11,11a-tetradecahydrobenzo[a]fluorene
CID 90978846
(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
(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
(7S,8R,9S,13S)-5',7,9,10,13,16-hexamethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]
CID 71088901
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
(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
(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
1-(12-hydroxy-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 145443253
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
(3S,5S,8R,9S,10S,13S,14S)-3,5',5',10,13-pentamethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxane]
CID 121369478
1,2,6,8a-tetramethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 143423059

Frequently Asked Questions

What is the IUPAC name of 3,10,12,13,16,16,17-heptamethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthrene?
The IUPAC name of 3,10,12,13,16,16,17-heptamethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthrene (CID 22958862) is 3,10,12,13,16,16,17-heptamethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthrene.
What is the SMILES notation for 3,10,12,13,16,16,17-heptamethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthrene?
The canonical SMILES for 3,10,12,13,16,16,17-heptamethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthrene is CC1CCC2(C)C(CCC3C2CC(C)C2(C)C3CC(C)(C)C2C)C1.
What is the InChIKey of 3,10,12,13,16,16,17-heptamethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthrene?
The InChIKey is CCTNZVDGWBGADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42/c1-15-10-11-23(6)18(12-15)8-9-19-20(23)13-16(2)24(7)17(3)22(4,5)14-21(19)24/h15-21H,8-14H2,1-7H3.
What are the key properties of 3,10,12,13,16,16,17-heptamethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthrene?
3,10,12,13,16,16,17-heptamethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthrene has a molecular weight of 330.60 g/mol, XLogP of 7.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10,12,13,16,16,17-heptamethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthrene is sourced from PubChem (CID 22958862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).