(1S,2S)-2,3,3-trimethyl-1-(trideuteriomethyl)-1,2-dihydroindene

C13H18 — CID 102270310

IUPAC(1S,2S)-2,3,3-trimethyl-1-(trideuteriomethyl)-1,2-dihydroindene
SMILES[2H]C([2H])([2H])[C@@H]1c2ccccc2C(C)(C)[C@H]1C
InChIInChI=1S/C13H18/c1-9-10(2)13(3,4)12-8-6-5-7-11(9)12/h5-10H,1-4H3/t9-,10-/m0/s1/i1D3
InChIKeyIGAOVIZPLVMHOI-JLPIQOAMSA-N
MW177.31 g/mol
LogP3.72
Rot. Bonds1

About (1S,2S)-2,3,3-trimethyl-1-(trideuteriomethyl)-1,2-dihydroindene

(1S,2S)-2,3,3-trimethyl-1-(trideuteriomethyl)-1,2-dihydroindene (PubChem CID 102270310) has the molecular formula C13H18 and a molecular weight of 177.31 g/mol. Its IUPAC name is (1S,2S)-2,3,3-trimethyl-1-(trideuteriomethyl)-1,2-dihydroindene.

Molecular Properties

Compound Name(1S,2S)-2,3,3-trimethyl-1-(trideuteriomethyl)-1,2-dihydroindene
PubChem CID102270310
Molecular FormulaC13H18
Molecular Weight177.31 g/mol
Exact Mass177.16
IUPAC Name(1S,2S)-2,3,3-trimethyl-1-(trideuteriomethyl)-1,2-dihydroindene
SMILES[2H]C([2H])([2H])[C@@H]1c2ccccc2C(C)(C)[C@H]1C
InChIInChI=1S/C13H18/c1-9-10(2)13(3,4)12-8-6-5-7-11(9)12/h5-10H,1-4H3/t9-,10-/m0/s1/i1D3
InChIKeyIGAOVIZPLVMHOI-JLPIQOAMSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,2S)-1,2-dimethyl-3,3-bis(trideuteriomethyl)-1,2-dihydroindene
CID 102270308
2-chloro-1,3,3-trimethyl-1,2-dihydroindene
CID 139835399
(1S,2S,3R)-1,2,3-trimethyl-2,3-dihydroinden-1-ol
CID 100995671
1,1,2,3,4,4-hexamethyl-3a,8b-dihydrocyclopenta[a]indene
CID 172640775
(1R,2R)-1,2,3,3-tetramethyl-1,2-dihydroinden-5-ol
CID 101072339
11,11-dimethyl-4b,10a-dihydrobenzo[b]fluorene
CID 163424311
(2,3-dimethyl-1-nitro-2,3-dihydroinden-1-yl)methanamine
CID 163497210
3,3-dimethyl-2,7b-dihydro-1aH-naphtho[1,2-b]oxiren-2-ol
CID 130128997
7,8-dimethylbicyclo[4.2.0]octa-1,3,5-triene;ethane
CID 159809006
(1S,2R,3S,4R)-1,4-dimethyl-4-(2-methylphenyl)-2,3-dihydro-1H-naphthalene-2,3-diol
CID 170673933
(2R)-1,1,2,4,4-pentamethyl-2,3-dihydronaphthalene
CID 177097652
1,1,1',1',2,2'-hexamethyl-3,3'-spirobi[2H-indene]
CID 18728941

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2,3,3-trimethyl-1-(trideuteriomethyl)-1,2-dihydroindene?
The IUPAC name of (1S,2S)-2,3,3-trimethyl-1-(trideuteriomethyl)-1,2-dihydroindene (CID 102270310) is (1S,2S)-2,3,3-trimethyl-1-(trideuteriomethyl)-1,2-dihydroindene.
What is the SMILES notation for (1S,2S)-2,3,3-trimethyl-1-(trideuteriomethyl)-1,2-dihydroindene?
The canonical SMILES for (1S,2S)-2,3,3-trimethyl-1-(trideuteriomethyl)-1,2-dihydroindene is [2H]C([2H])([2H])[C@@H]1c2ccccc2C(C)(C)[C@H]1C.
What is the InChIKey of (1S,2S)-2,3,3-trimethyl-1-(trideuteriomethyl)-1,2-dihydroindene?
The InChIKey is IGAOVIZPLVMHOI-JLPIQOAMSA-N. The full InChI is InChI=1S/C13H18/c1-9-10(2)13(3,4)12-8-6-5-7-11(9)12/h5-10H,1-4H3/t9-,10-/m0/s1/i1D3.
What are the key properties of (1S,2S)-2,3,3-trimethyl-1-(trideuteriomethyl)-1,2-dihydroindene?
(1S,2S)-2,3,3-trimethyl-1-(trideuteriomethyl)-1,2-dihydroindene has a molecular weight of 177.31 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2,3,3-trimethyl-1-(trideuteriomethyl)-1,2-dihydroindene is sourced from PubChem (CID 102270310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).