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

C15H28 — CID 158981751

IUPAC(4aR,8aS)-4a,8a-dimethyl-1-propyl-1,2,3,4,5,6,7,8-octahydronaphthalene
SMILESCCCC1CCC[C@@]2(C)CCCC[C@@]12C
InChIInChI=1S/C15H28/c1-4-8-13-9-7-11-14(2)10-5-6-12-15(13,14)3/h13H,4-12H2,1-3H3/t13?,14-,15+/m1/s1
InChIKeyBCTZQVOTQWUHRJ-DMJDIKPUSA-N
MW208.39 g/mol
LogP5.17
Rot. Bonds2

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

(4aR,8aS)-4a,8a-dimethyl-1-propyl-1,2,3,4,5,6,7,8-octahydronaphthalene (PubChem CID 158981751) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is (4aR,8aS)-4a,8a-dimethyl-1-propyl-1,2,3,4,5,6,7,8-octahydronaphthalene.

Molecular Properties

Compound Name(4aR,8aS)-4a,8a-dimethyl-1-propyl-1,2,3,4,5,6,7,8-octahydronaphthalene
PubChem CID158981751
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name(4aR,8aS)-4a,8a-dimethyl-1-propyl-1,2,3,4,5,6,7,8-octahydronaphthalene
SMILESCCCC1CCC[C@@]2(C)CCCC[C@@]12C
InChIInChI=1S/C15H28/c1-4-8-13-9-7-11-14(2)10-5-6-12-15(13,14)3/h13H,4-12H2,1-3H3/t13?,14-,15+/m1/s1
InChIKeyBCTZQVOTQWUHRJ-DMJDIKPUSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-1-methyl-2-propylcyclohexane
CID 163211328
trans-(1S,2R)-1,2-dipropylcyclopentan-1-ol
CID 135054569
2-propylcyclohexane-1,1-diol
CID 19352764
CID 18764306
CID 18764306
4-octylspiro[4.5]decane
CID 139968258
2-propylcyclopentane-1,1-dicarboxylic acid
CID 14381279
1-ethyl-2,4a,8a-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene
CID 58078441
2-heptyl-1,1-dimethylcycloundecane
CID 174977900
2-propylspiro[2.2]pentane
CID 549029
azane;2-butyl-1,1-dimethylcyclopentane
CID 174501444
1-amino-2-propylcyclohexane-1-carboxylic acid
CID 121281708
17-ethyl-5,8,10,13-tetramethyl-2,3,4,6,7,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 142478882

Frequently Asked Questions

What is the IUPAC name of (4aR,8aS)-4a,8a-dimethyl-1-propyl-1,2,3,4,5,6,7,8-octahydronaphthalene?
The IUPAC name of (4aR,8aS)-4a,8a-dimethyl-1-propyl-1,2,3,4,5,6,7,8-octahydronaphthalene (CID 158981751) is (4aR,8aS)-4a,8a-dimethyl-1-propyl-1,2,3,4,5,6,7,8-octahydronaphthalene.
What is the SMILES notation for (4aR,8aS)-4a,8a-dimethyl-1-propyl-1,2,3,4,5,6,7,8-octahydronaphthalene?
The canonical SMILES for (4aR,8aS)-4a,8a-dimethyl-1-propyl-1,2,3,4,5,6,7,8-octahydronaphthalene is CCCC1CCC[C@@]2(C)CCCC[C@@]12C.
What is the InChIKey of (4aR,8aS)-4a,8a-dimethyl-1-propyl-1,2,3,4,5,6,7,8-octahydronaphthalene?
The InChIKey is BCTZQVOTQWUHRJ-DMJDIKPUSA-N. The full InChI is InChI=1S/C15H28/c1-4-8-13-9-7-11-14(2)10-5-6-12-15(13,14)3/h13H,4-12H2,1-3H3/t13?,14-,15+/m1/s1.
What are the key properties of (4aR,8aS)-4a,8a-dimethyl-1-propyl-1,2,3,4,5,6,7,8-octahydronaphthalene?
(4aR,8aS)-4a,8a-dimethyl-1-propyl-1,2,3,4,5,6,7,8-octahydronaphthalene has a molecular weight of 208.39 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aS)-4a,8a-dimethyl-1-propyl-1,2,3,4,5,6,7,8-octahydronaphthalene is sourced from PubChem (CID 158981751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).