4,6b,8a,11,14a-pentamethyl-6a,7,8,9,10,11,12,12a,13,14-decahydropicen-2-one

C27H36O — CID 138623383

IUPAC4,6b,8a,11,14a-pentamethyl-6a,7,8,9,10,11,12,12a,13,14-decahydropicen-2-one
SMILESCC1=CC(=O)C=C2C1=CC=C1C2(C)CCC2C3CC(C)CCC3(C)CCC12C
InChIInChI=1S/C27H36O/c1-17-8-10-25(3)12-13-27(5)21(23(25)14-17)9-11-26(4)22-16-19(28)15-18(2)20(22)6-7-24(26)27/h6-7,15-17,21,23H,8-14H2,1-5H3
InChIKeyIXPWHTZLEFNCPP-UHFFFAOYSA-N
MW376.58 g/mol
LogP6.97
Rot. Bonds

About 4,6b,8a,11,14a-pentamethyl-6a,7,8,9,10,11,12,12a,13,14-decahydropicen-2-one

4,6b,8a,11,14a-pentamethyl-6a,7,8,9,10,11,12,12a,13,14-decahydropicen-2-one (PubChem CID 138623383) has the molecular formula C27H36O and a molecular weight of 376.58 g/mol. Its IUPAC name is 4,6b,8a,11,14a-pentamethyl-6a,7,8,9,10,11,12,12a,13,14-decahydropicen-2-one.

Molecular Properties

Compound Name4,6b,8a,11,14a-pentamethyl-6a,7,8,9,10,11,12,12a,13,14-decahydropicen-2-one
PubChem CID138623383
Molecular FormulaC27H36O
Molecular Weight376.58 g/mol
Exact Mass376.28
IUPAC Name4,6b,8a,11,14a-pentamethyl-6a,7,8,9,10,11,12,12a,13,14-decahydropicen-2-one
SMILESCC1=CC(=O)C=C2C1=CC=C1C2(C)CCC2C3CC(C)CCC3(C)CCC12C
InChIInChI=1S/C27H36O/c1-17-8-10-25(3)12-13-27(5)21(23(25)14-17)9-11-26(4)22-16-19(28)15-18(2)20(22)6-7-24(26)27/h6-7,15-17,21,23H,8-14H2,1-5H3
InChIKeyIXPWHTZLEFNCPP-UHFFFAOYSA-N
XLogP6.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.58
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,6b,8a,11,14a-pentamethyl-6a,7,8,9,10,11,12,12a,13,14-decahydropicen-2-one with MolForge

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Related Compounds

formic acid;3-methoxy-4,6b,8a,11,14a-pentamethyl-6a,7,8,9,10,11,12,12a,13,14-decahydropicen-2-one
CID 144934959
3-hydroxy-4,6b,8a,11,14a-pentamethyl-6a,7,8,9,10,11,12,12a,13,14-decahydropicen-2-one;N-methylmethanesulfinamide
CID 145301037
N,N-diethylformamide;3-hydroxy-4,6b,8a,11,14a-pentamethyl-6a,7,8,9,10,11,12,12a,13,14-decahydropicen-2-one
CID 144934972
(11R)-11-ethyl-3-hydroxy-4,6b,8a,11,14a-pentamethyl-7,8,9,10,12,12a,13,14-octahydro-6aH-picen-2-one
CID 145301000
N-(10-hydroxy-2,4a,6a,6a,9-pentamethyl-11-oxo-3,4,5,6,13,14,14a,14b-octahydro-1H-picen-2-yl)-2-methylpropanamide
CID 145301040
4,6b,8a,11,14a-pentamethyl-6a,7,8,9,10,11,12,12a,13,14-decahydro-5H-picene-2,3-diol;formic acid
CID 145435939
N-(4a,6a,6a,9,14a-pentamethyl-11-oxo-2,3,4,5,6,13,14,14b-octahydro-1H-picen-2-yl)-N-methylpropanamide
CID 66778872
(6aS)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-8,9,10,11,12,12a,13,14-octahydro-7H-picen-2-one;ethane
CID 145300916
9-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione
CID 173013825
(6aS,6bS,8aR,11S,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-8,9,10,11,12,12a,13,14-octahydro-7H-picen-2-one;carbon dioxide
CID 158251012
12a-amino-4,6b,8a,11,14a-pentamethyl-3-nitroso-7,8,9,10,11,12,13,14-octahydro-6aH-picen-2-one;(E)-but-1-en-1-ol
CID 145300969
4,6b,8a,11,14a-pentamethyl-1,2,5,6,6a,6a,7,8,9,10,11,12,12a,13,14,14b-hexadecahydropicen-3-one
CID 171647947

Frequently Asked Questions

What is the IUPAC name of 4,6b,8a,11,14a-pentamethyl-6a,7,8,9,10,11,12,12a,13,14-decahydropicen-2-one?
The IUPAC name of 4,6b,8a,11,14a-pentamethyl-6a,7,8,9,10,11,12,12a,13,14-decahydropicen-2-one (CID 138623383) is 4,6b,8a,11,14a-pentamethyl-6a,7,8,9,10,11,12,12a,13,14-decahydropicen-2-one.
What is the SMILES notation for 4,6b,8a,11,14a-pentamethyl-6a,7,8,9,10,11,12,12a,13,14-decahydropicen-2-one?
The canonical SMILES for 4,6b,8a,11,14a-pentamethyl-6a,7,8,9,10,11,12,12a,13,14-decahydropicen-2-one is CC1=CC(=O)C=C2C1=CC=C1C2(C)CCC2C3CC(C)CCC3(C)CCC12C.
What is the InChIKey of 4,6b,8a,11,14a-pentamethyl-6a,7,8,9,10,11,12,12a,13,14-decahydropicen-2-one?
The InChIKey is IXPWHTZLEFNCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36O/c1-17-8-10-25(3)12-13-27(5)21(23(25)14-17)9-11-26(4)22-16-19(28)15-18(2)20(22)6-7-24(26)27/h6-7,15-17,21,23H,8-14H2,1-5H3.
What are the key properties of 4,6b,8a,11,14a-pentamethyl-6a,7,8,9,10,11,12,12a,13,14-decahydropicen-2-one?
4,6b,8a,11,14a-pentamethyl-6a,7,8,9,10,11,12,12a,13,14-decahydropicen-2-one has a molecular weight of 376.58 g/mol, XLogP of 6.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6b,8a,11,14a-pentamethyl-6a,7,8,9,10,11,12,12a,13,14-decahydropicen-2-one is sourced from PubChem (CID 138623383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).