(2S)-2-methyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3H-inden-1-one

C25H30O — CID 138984515

IUPAC(2S)-2-methyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3H-inden-1-one
SMILESCc1cc2c(cc1[C@]1(C)Cc3ccccc3C1=O)C(C)(C)CCC2(C)C
InChIInChI=1S/C25H30O/c1-16-13-20-21(24(4,5)12-11-23(20,2)3)14-19(16)25(6)15-17-9-7-8-10-18(17)22(25)26/h7-10,13-14H,11-12,15H2,1-6H3/t25-/m0/s1
InChIKeyJTDIRJNSSVZGFC-VWLOTQADSA-N
MW346.51 g/mol
LogP6.04
Rot. Bonds1

About (2S)-2-methyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3H-inden-1-one

(2S)-2-methyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3H-inden-1-one (PubChem CID 138984515) has the molecular formula C25H30O and a molecular weight of 346.51 g/mol. Its IUPAC name is (2S)-2-methyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3H-inden-1-one.

Molecular Properties

Compound Name(2S)-2-methyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3H-inden-1-one
PubChem CID138984515
Molecular FormulaC25H30O
Molecular Weight346.51 g/mol
Exact Mass346.23
IUPAC Name(2S)-2-methyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3H-inden-1-one
SMILESCc1cc2c(cc1[C@]1(C)Cc3ccccc3C1=O)C(C)(C)CCC2(C)C
InChIInChI=1S/C25H30O/c1-16-13-20-21(24(4,5)12-11-23(20,2)3)14-19(16)25(6)15-17-9-7-8-10-18(17)22(25)26/h7-10,13-14H,11-12,15H2,1-6H3/t25-/m0/s1
InChIKeyJTDIRJNSSVZGFC-VWLOTQADSA-N
XLogP6.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.51
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2S)-2-methyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3H-inden-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3H-inden-1-one?
The IUPAC name of (2S)-2-methyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3H-inden-1-one (CID 138984515) is (2S)-2-methyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3H-inden-1-one.
What is the SMILES notation for (2S)-2-methyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3H-inden-1-one?
The canonical SMILES for (2S)-2-methyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3H-inden-1-one is Cc1cc2c(cc1[C@]1(C)Cc3ccccc3C1=O)C(C)(C)CCC2(C)C.
What is the InChIKey of (2S)-2-methyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3H-inden-1-one?
The InChIKey is JTDIRJNSSVZGFC-VWLOTQADSA-N. The full InChI is InChI=1S/C25H30O/c1-16-13-20-21(24(4,5)12-11-23(20,2)3)14-19(16)25(6)15-17-9-7-8-10-18(17)22(25)26/h7-10,13-14H,11-12,15H2,1-6H3/t25-/m0/s1.
What are the key properties of (2S)-2-methyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3H-inden-1-one?
(2S)-2-methyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3H-inden-1-one has a molecular weight of 346.51 g/mol, XLogP of 6.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3H-inden-1-one is sourced from PubChem (CID 138984515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).