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

C13H24 — CID 97184727

IUPAC(1R,4aS,8aR)-1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCC[C@@H]1CCC[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C13H24/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h11-13H,2-10H2,1H3/t11-,12+,13-/m1/s1
InChIKeyHIXIFRGJVIZERN-FRRDWIJNSA-N
MW180.33 g/mol
LogP4.39
Rot. Bonds2

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

(1R,4aS,8aR)-1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 97184727) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is (1R,4aS,8aR)-1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name(1R,4aS,8aR)-1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID97184727
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name(1R,4aS,8aR)-1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCC[C@@H]1CCC[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C13H24/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h11-13H,2-10H2,1H3/t11-,12+,13-/m1/s1
InChIKeyHIXIFRGJVIZERN-FRRDWIJNSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

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Related Compounds

1-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 54214621
1-nonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139911728
(1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 165360268
1-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 139994332
1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,1,4-tripropylcyclohexane
CID 173085935
1,4-diethyl-1-propylcyclohexane;1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 173085741
cis-(1S,2R)-1,2-dipropylcyclohexane
CID 143217114
(1R,4aR,8aR)-1-[[(1S,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 97107678
1-(5-ethoxypentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 90715549
1-cyclopentyl-2-(2-methylpropyl)cyclopentane
CID 57306943
3-cyclobutyl-4-propylcyclohexan-1-one
CID 165496459
1-[2-(2-methyl-5-pentylcyclopentyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 143902616

Frequently Asked Questions

What is the IUPAC name of (1R,4aS,8aR)-1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of (1R,4aS,8aR)-1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 97184727) is (1R,4aS,8aR)-1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for (1R,4aS,8aR)-1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for (1R,4aS,8aR)-1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CCC[C@@H]1CCC[C@@H]2CCCC[C@@H]21.
What is the InChIKey of (1R,4aS,8aR)-1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is HIXIFRGJVIZERN-FRRDWIJNSA-N. The full InChI is InChI=1S/C13H24/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h11-13H,2-10H2,1H3/t11-,12+,13-/m1/s1.
What are the key properties of (1R,4aS,8aR)-1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
(1R,4aS,8aR)-1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 180.33 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4aS,8aR)-1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 97184727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).