(1S,4aR,6R,8aS)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C12H22 — CID 91751812

IUPAC(1S,4aR,6R,8aS)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESC[C@@H]1CC[C@@H]2[C@H](CCC[C@@H]2C)C1
InChIInChI=1S/C12H22/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h9-12H,3-8H2,1-2H3/t9-,10+,11-,12+/m1/s1
InChIKeySXLVBBLVYUOSKX-KXNHARMFSA-N
MW166.31 g/mol
LogP3.86
Rot. Bonds

About (1S,4aR,6R,8aS)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

(1S,4aR,6R,8aS)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 91751812) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (1S,4aR,6R,8aS)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name(1S,4aR,6R,8aS)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID91751812
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(1S,4aR,6R,8aS)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESC[C@@H]1CC[C@@H]2[C@H](CCC[C@@H]2C)C1
InChIInChI=1S/C12H22/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h9-12H,3-8H2,1-2H3/t9-,10+,11-,12+/m1/s1
InChIKeySXLVBBLVYUOSKX-KXNHARMFSA-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

Analyze (1S,4aR,6R,8aS)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene with MolForge

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Related Compounds

(1S,4aS,6S,8aS)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751793
(6R)-2-methylbicyclo[4.1.0]heptane
CID 143188107
3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 20683773
ethane;3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 143732334
(2R,4aS,4bS,8aR,10aR)-2-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 97102805
2-methyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 71773994
(2,4-dimethylcyclohexyl)cyclononane
CID 163705330
cyclobutane;1-cyclobutyl-3-methylcyclooctane;cyclooctane;ethane;methylcyclooctane;(1R)-1-methyl-2-(5-methylcyclooctyl)cyclooctane
CID 158906506
(1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 6427449
2-methylbicyclo[5.2.0]nonane
CID 90842882
1-cyclobutyl-2-methylcyclohexane
CID 146763407
(2S)-1-cyclopentyl-2-methylcyclopentane
CID 140885757

Frequently Asked Questions

What is the IUPAC name of (1S,4aR,6R,8aS)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of (1S,4aR,6R,8aS)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 91751812) is (1S,4aR,6R,8aS)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for (1S,4aR,6R,8aS)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for (1S,4aR,6R,8aS)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is C[C@@H]1CC[C@@H]2[C@H](CCC[C@@H]2C)C1.
What is the InChIKey of (1S,4aR,6R,8aS)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is SXLVBBLVYUOSKX-KXNHARMFSA-N. The full InChI is InChI=1S/C12H22/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h9-12H,3-8H2,1-2H3/t9-,10+,11-,12+/m1/s1.
What are the key properties of (1S,4aR,6R,8aS)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
(1S,4aR,6R,8aS)-1,6-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 (1S,4aR,6R,8aS)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 91751812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).