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

C11H20 — CID 6427449

IUPAC(1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESC[C@H]1CCC[C@H]2CCCC[C@@H]21
InChIInChI=1S/C11H20/c1-9-5-4-7-10-6-2-3-8-11(9)10/h9-11H,2-8H2,1H3/t9-,10+,11+/m0/s1
InChIKeyNHCREQREVZBOCH-HBNTYKKESA-N
MW152.28 g/mol
LogP3.61
Rot. Bonds

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

(1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 6427449) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is (1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name(1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID6427449
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name(1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESC[C@H]1CCC[C@H]2CCCC[C@@H]21
InChIInChI=1S/C11H20/c1-9-5-4-7-10-6-2-3-8-11(9)10/h9-11H,2-8H2,1H3/t9-,10+,11+/m0/s1
InChIKeyNHCREQREVZBOCH-HBNTYKKESA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

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Related Compounds

(2S)-1-cyclopentyl-2-methylcyclopentane
CID 140885757
1-cyclobutyl-2-methylcyclohexane
CID 146763407
pentakis(1-cyclopentyl-2-methylcyclopentane);methane
CID 162268906
(1R)-1-cyclobutyl-4-(2-methylcyclohexyl)cycloheptane
CID 163683133
1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
CID 173085914
(1R,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 59207141
(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
2-methylbicyclo[5.2.0]nonane
CID 90842882
(1R,3aR,6aR)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 12702720
cis-(1S,2R)-1-methyl-2-[(1R)-2-methylcyclopentyl]cyclopentane
CID 91373089
cyclobutane;1-cyclobutyl-3-methylcyclooctane;cyclooctane;ethane;methylcyclooctane;(1R)-1-methyl-2-(5-methylcyclooctyl)cyclooctane
CID 158906506

Frequently Asked Questions

What is the IUPAC name of (1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of (1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 6427449) is (1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for (1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for (1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is C[C@H]1CCC[C@H]2CCCC[C@@H]21.
What is the InChIKey of (1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is NHCREQREVZBOCH-HBNTYKKESA-N. The full InChI is InChI=1S/C11H20/c1-9-5-4-7-10-6-2-3-8-11(9)10/h9-11H,2-8H2,1H3/t9-,10+,11+/m0/s1.
What are the key properties of (1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
(1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 152.28 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 6427449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).