(1R,3S,3aS)-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

C11H20 — CID 144941851

IUPAC(1R,3S,3aS)-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESC[C@@H]1C[C@H](C)[C@@H]2CCCCC12
InChIInChI=1S/C11H20/c1-8-7-9(2)11-6-4-3-5-10(8)11/h8-11H,3-7H2,1-2H3/t8-,9+,10-,11?/m0/s1
InChIKeyVTLIIZSWAVAOCR-JDUUOCRZSA-N
MW152.28 g/mol
LogP3.47
Rot. Bonds

About (1R,3S,3aS)-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

(1R,3S,3aS)-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 144941851) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is (1R,3S,3aS)-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Name(1R,3S,3aS)-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID144941851
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name(1R,3S,3aS)-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESC[C@@H]1C[C@H](C)[C@@H]2CCCCC12
InChIInChI=1S/C11H20/c1-8-7-9(2)11-6-4-3-5-10(8)11/h8-11H,3-7H2,1-2H3/t8-,9+,10-,11?/m0/s1
InChIKeyVTLIIZSWAVAOCR-JDUUOCRZSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1R,3S,3aS)-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene with MolForge

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

Launch Full Analysis

Related Compounds

4-methyl-1,2,2a,3,4,4a,5,6,7,8,8a,8b-dodecahydrocyclobuta[a]naphthalene
CID 163896110
cis-(1S,2R)-1-methyl-2-[(1R)-2-methylcyclopentyl]cyclopentane
CID 91373089
6-fluoro-1,4-dimethyl-2,3,3a,4,5,6,7,8,9,10,11,11a-dodecahydro-1H-cyclopenta[10]annulene
CID 170286025
1,3-dimethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene
CID 164599475
(2-methylcyclopropyl)cyclooctane
CID 19768877
(1S,2S,4R,5R)-2,4-dimethylbicyclo[3.1.0]hexane
CID 172607830
(5S)-2,4-dimethylbicyclo[3.1.0]hexane
CID 142062990
(1S,3R,4aR,8aS)-1,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751792
cis-(1R,2S)-1-methyl-2-[(1R,2R)-2-[(1S,2R)-2-[(1S,2S)-2-[(1R,2S)-2-methylcyclopentyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclopentane;cis-(1R,2S)-1-methyl-2-[(1S,2S)-2-[(1S,2R)-2-[(1R,2R)-2-[(1R,2S)-2-methylcyclopentyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclopentane
CID 157247128
7-methyltricyclo[4.3.0.02,9]nonane
CID 152833936
2,6-dimethylbicyclo[3.2.0]heptane
CID 91170917
1-(iodomethyl)-3-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 153063031

Frequently Asked Questions

What is the IUPAC name of (1R,3S,3aS)-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of (1R,3S,3aS)-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 144941851) is (1R,3S,3aS)-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for (1R,3S,3aS)-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for (1R,3S,3aS)-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is C[C@@H]1C[C@H](C)[C@@H]2CCCCC12.
What is the InChIKey of (1R,3S,3aS)-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is VTLIIZSWAVAOCR-JDUUOCRZSA-N. The full InChI is InChI=1S/C11H20/c1-8-7-9(2)11-6-4-3-5-10(8)11/h8-11H,3-7H2,1-2H3/t8-,9+,10-,11?/m0/s1.
What are the key properties of (1R,3S,3aS)-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
(1R,3S,3aS)-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 152.28 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,3aS)-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 144941851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).