(2R,4aR)-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene

C12H22 — CID 169205575

IUPAC(2R,4aR)-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
SMILESC[C@@H]1CC[C@H]2CCCCC2(C)C1
InChIInChI=1S/C12H22/c1-10-6-7-11-5-3-4-8-12(11,2)9-10/h10-11H,3-9H2,1-2H3/t10-,11-,12?/m1/s1
InChIKeyOZCYALLNRZVIHQ-XFKKCKKNSA-N
MW166.31 g/mol
LogP4.00
Rot. Bonds

About (2R,4aR)-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene

(2R,4aR)-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene (PubChem CID 169205575) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (2R,4aR)-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene.

Molecular Properties

Compound Name(2R,4aR)-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
PubChem CID169205575
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(2R,4aR)-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
SMILESC[C@@H]1CC[C@H]2CCCCC2(C)C1
InChIInChI=1S/C12H22/c1-10-6-7-11-5-3-4-8-12(11,2)9-10/h10-11H,3-9H2,1-2H3/t10-,11-,12?/m1/s1
InChIKeyOZCYALLNRZVIHQ-XFKKCKKNSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (2R,4aR)-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene 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

(1,3-dimethylcyclobutyl)cyclopentane
CID 146720306
(2R,4aR,8aR)-2-chloro-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 640677
(1-methylcyclopentyl)cyclohexane
CID 13217819
(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 71361825
(5S)-1-methylbicyclo[3.2.0]heptane
CID 142053045
4-(1-methylcyclopentyl)cyclohexan-1-ol
CID 69367175
(3-chloro-1-methylcyclopentyl)cycloheptane
CID 116540220
6-cycloundecyl-6-methyldiazecane
CID 126582920
7a-methyl-2-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-1H-inden-2-ol
CID 59331059
(3aS,7aR)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene-2-carboxylic acid
CID 130764332
3-cyclohexyl-3-methylpiperidine;hydrochloride
CID 69054070
(1,3-dimethylcyclodecyl)phosphane
CID 146213470

Frequently Asked Questions

What is the IUPAC name of (2R,4aR)-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
The IUPAC name of (2R,4aR)-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene (CID 169205575) is (2R,4aR)-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene.
What is the SMILES notation for (2R,4aR)-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
The canonical SMILES for (2R,4aR)-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene is C[C@@H]1CC[C@H]2CCCCC2(C)C1.
What is the InChIKey of (2R,4aR)-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
The InChIKey is OZCYALLNRZVIHQ-XFKKCKKNSA-N. The full InChI is InChI=1S/C12H22/c1-10-6-7-11-5-3-4-8-12(11,2)9-10/h10-11H,3-9H2,1-2H3/t10-,11-,12?/m1/s1.
What are the key properties of (2R,4aR)-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
(2R,4aR)-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene has a molecular weight of 166.31 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR)-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene is sourced from PubChem (CID 169205575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).