1,2-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C12H22 — CID 565551

IUPAC1,2-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC1CCC2CCCCC2C1C
InChIInChI=1S/C12H22/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h9-12H,3-8H2,1-2H3
InChIKeyFHEIPFHZECVFRS-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.86
Rot. Bonds

About 1,2-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

1,2-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 565551) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1,2-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name1,2-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID565551
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1,2-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC1CCC2CCCCC2C1C
InChIInChI=1S/C12H22/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h9-12H,3-8H2,1-2H3
InChIKeyFHEIPFHZECVFRS-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 143144045
(3aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 134864690
(1R,3aS,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 12701541
(1R,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 59207141
(1R,3aR,6aR)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 12702720
(1S,2S,3aR,7aR)-1,2-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;cyclohexane
CID 90841263
1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;methane
CID 159429380
pentakis(1-cyclopentyl-2-methylcyclopentane);methane
CID 162268906
(1R)-1-cyclobutyl-4-(2-methylcyclohexyl)cycloheptane
CID 163683133
(1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 6427449
1-cyclobutyl-2-methylcyclohexane
CID 146763407
2-methylbicyclo[5.2.0]nonane
CID 90842882

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 1,2-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 565551) is 1,2-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 1,2-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 1,2-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CC1CCC2CCCCC2C1C.
What is the InChIKey of 1,2-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is FHEIPFHZECVFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h9-12H,3-8H2,1-2H3.
What are the key properties of 1,2-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
1,2-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 166.31 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 565551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).