4a,6a,7,10-tetramethyl-10-propan-2-yl-1,2,3,4,4b,5,6,6b,7,8,9,10a,11,11a,11b,12,13,13a-octadecahydroindeno[2,1-a]phenanthrene

C28H48 — CID 165359394

IUPAC4a,6a,7,10-tetramethyl-10-propan-2-yl-1,2,3,4,4b,5,6,6b,7,8,9,10a,11,11a,11b,12,13,13a-octadecahydroindeno[2,1-a]phenanthrene
SMILESCC1CCC(C)(C(C)C)C2CC3C4CCC5CCCCC5(C)C4CCC3(C)C12
InChIInChI=1S/C28H48/c1-18(2)26(4)15-12-19(3)25-24(26)17-23-21-11-10-20-9-7-8-14-27(20,5)22(21)13-16-28(23,25)6/h18-25H,7-17H2,1-6H3
InChIKeyLPDDJQOMRKZKLJ-UHFFFAOYSA-N
MW384.69 g/mol
LogP8.35
Rot. Bonds1

About 4a,6a,7,10-tetramethyl-10-propan-2-yl-1,2,3,4,4b,5,6,6b,7,8,9,10a,11,11a,11b,12,13,13a-octadecahydroindeno[2,1-a]phenanthrene

4a,6a,7,10-tetramethyl-10-propan-2-yl-1,2,3,4,4b,5,6,6b,7,8,9,10a,11,11a,11b,12,13,13a-octadecahydroindeno[2,1-a]phenanthrene (PubChem CID 165359394) has the molecular formula C28H48 and a molecular weight of 384.69 g/mol. Its IUPAC name is 4a,6a,7,10-tetramethyl-10-propan-2-yl-1,2,3,4,4b,5,6,6b,7,8,9,10a,11,11a,11b,12,13,13a-octadecahydroindeno[2,1-a]phenanthrene.

Molecular Properties

Compound Name4a,6a,7,10-tetramethyl-10-propan-2-yl-1,2,3,4,4b,5,6,6b,7,8,9,10a,11,11a,11b,12,13,13a-octadecahydroindeno[2,1-a]phenanthrene
PubChem CID165359394
Molecular FormulaC28H48
Molecular Weight384.69 g/mol
Exact Mass384.38
IUPAC Name4a,6a,7,10-tetramethyl-10-propan-2-yl-1,2,3,4,4b,5,6,6b,7,8,9,10a,11,11a,11b,12,13,13a-octadecahydroindeno[2,1-a]phenanthrene
SMILESCC1CCC(C)(C(C)C)C2CC3C4CCC5CCCCC5(C)C4CCC3(C)C12
InChIInChI=1S/C28H48/c1-18(2)26(4)15-12-19(3)25-24(26)17-23-21-11-10-20-9-7-8-14-27(20,5)22(21)13-16-28(23,25)6/h18-25H,7-17H2,1-6H3
InChIKeyLPDDJQOMRKZKLJ-UHFFFAOYSA-N
XLogP8.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.69
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4a,6a,7,10-tetramethyl-10-propan-2-yl-1,2,3,4,4b,5,6,6b,7,8,9,10a,11,11a,11b,12,13,13a-octadecahydroindeno[2,1-a]phenanthrene with MolForge

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Related Compounds

(10aR)-4a,6a,7-trimethyl-2,3,4,4b,5,6,6b,7,8,9,10,10a,11,11a,11b,12,13,13a-octadecahydro-1H-indeno[2,1-a]phenanthrene
CID 123522446
(8R,9S,10S,13S,14S,17S)-10,13,16-trimethyl-17-[(2R)-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 148919156
(8R,10S,13S,17R)-10,13-dimethyl-17-propan-2-yl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol
CID 165146159
(5R,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-17-propan-2-yl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol
CID 155640298
1-[(8R,9S,10S,13S,14S,17S)-10,13,16-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CID 67894641
(5R,8R,9R,10S,13S,14R,16R,17R)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-ol
CID 125028365
(5R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-16,17-diol
CID 45043776
1-[(8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanamine
CID 68522867
(5R,8R,9S,10S,13S,14S,16R,17R)-16-bromo-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol
CID 18637640
1-[(8R,9S,10S,13S,14S,17S)-10,13,15-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CID 154086120
(5R,8R,9R,10S,13S,14R,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol
CID 11868970
(5R,10S,13S,17R)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol
CID 6427802

Frequently Asked Questions

What is the IUPAC name of 4a,6a,7,10-tetramethyl-10-propan-2-yl-1,2,3,4,4b,5,6,6b,7,8,9,10a,11,11a,11b,12,13,13a-octadecahydroindeno[2,1-a]phenanthrene?
The IUPAC name of 4a,6a,7,10-tetramethyl-10-propan-2-yl-1,2,3,4,4b,5,6,6b,7,8,9,10a,11,11a,11b,12,13,13a-octadecahydroindeno[2,1-a]phenanthrene (CID 165359394) is 4a,6a,7,10-tetramethyl-10-propan-2-yl-1,2,3,4,4b,5,6,6b,7,8,9,10a,11,11a,11b,12,13,13a-octadecahydroindeno[2,1-a]phenanthrene.
What is the SMILES notation for 4a,6a,7,10-tetramethyl-10-propan-2-yl-1,2,3,4,4b,5,6,6b,7,8,9,10a,11,11a,11b,12,13,13a-octadecahydroindeno[2,1-a]phenanthrene?
The canonical SMILES for 4a,6a,7,10-tetramethyl-10-propan-2-yl-1,2,3,4,4b,5,6,6b,7,8,9,10a,11,11a,11b,12,13,13a-octadecahydroindeno[2,1-a]phenanthrene is CC1CCC(C)(C(C)C)C2CC3C4CCC5CCCCC5(C)C4CCC3(C)C12.
What is the InChIKey of 4a,6a,7,10-tetramethyl-10-propan-2-yl-1,2,3,4,4b,5,6,6b,7,8,9,10a,11,11a,11b,12,13,13a-octadecahydroindeno[2,1-a]phenanthrene?
The InChIKey is LPDDJQOMRKZKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48/c1-18(2)26(4)15-12-19(3)25-24(26)17-23-21-11-10-20-9-7-8-14-27(20,5)22(21)13-16-28(23,25)6/h18-25H,7-17H2,1-6H3.
What are the key properties of 4a,6a,7,10-tetramethyl-10-propan-2-yl-1,2,3,4,4b,5,6,6b,7,8,9,10a,11,11a,11b,12,13,13a-octadecahydroindeno[2,1-a]phenanthrene?
4a,6a,7,10-tetramethyl-10-propan-2-yl-1,2,3,4,4b,5,6,6b,7,8,9,10a,11,11a,11b,12,13,13a-octadecahydroindeno[2,1-a]phenanthrene has a molecular weight of 384.69 g/mol, XLogP of 8.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,6a,7,10-tetramethyl-10-propan-2-yl-1,2,3,4,4b,5,6,6b,7,8,9,10a,11,11a,11b,12,13,13a-octadecahydroindeno[2,1-a]phenanthrene is sourced from PubChem (CID 165359394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).