(1S,2S,4S)-4-[(2R)-butan-2-yl]-1,2-dimethyl-1,2,3,4-tetrahydronaphthalene

C16H24 — CID 123233367

IUPAC(1S,2S,4S)-4-[(2R)-butan-2-yl]-1,2-dimethyl-1,2,3,4-tetrahydronaphthalene
SMILESCC[C@@H](C)[C@@H]1C[C@H](C)[C@H](C)c2ccccc21
InChIInChI=1S/C16H24/c1-5-11(2)16-10-12(3)13(4)14-8-6-7-9-15(14)16/h6-9,11-13,16H,5,10H2,1-4H3/t11-,12+,13+,16+/m1/s1
InChIKeyRUDGJUZSNUTCEC-DVZHBHJUSA-N
MW216.37 g/mol
LogP4.96
Rot. Bonds2

About (1S,2S,4S)-4-[(2R)-butan-2-yl]-1,2-dimethyl-1,2,3,4-tetrahydronaphthalene

(1S,2S,4S)-4-[(2R)-butan-2-yl]-1,2-dimethyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 123233367) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is (1S,2S,4S)-4-[(2R)-butan-2-yl]-1,2-dimethyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(1S,2S,4S)-4-[(2R)-butan-2-yl]-1,2-dimethyl-1,2,3,4-tetrahydronaphthalene
PubChem CID123233367
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name(1S,2S,4S)-4-[(2R)-butan-2-yl]-1,2-dimethyl-1,2,3,4-tetrahydronaphthalene
SMILESCC[C@@H](C)[C@@H]1C[C@H](C)[C@H](C)c2ccccc21
InChIInChI=1S/C16H24/c1-5-11(2)16-10-12(3)13(4)14-8-6-7-9-15(14)16/h6-9,11-13,16H,5,10H2,1-4H3/t11-,12+,13+,16+/m1/s1
InChIKeyRUDGJUZSNUTCEC-DVZHBHJUSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodoethanamine
CID 139550944
4-butan-2-yl-2-methyl-1,2,3,4-tetrahydroquinoline
CID 106780808
3-butan-2-yl-2,3-dihydroinden-1-one
CID 146549905
2-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanethiol
CID 170048943
[(1S,2R)-2-butan-2-ylcyclopropyl]benzene
CID 100977404
7,8-dimethylbicyclo[4.2.0]octa-1,3,5-triene;ethane
CID 159809006
(1R,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-ol
CID 91647488
(1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-ol
CID 12927411
4-butan-2-yl-1-hydroxy-1-methyl-3,4-dihydronaphthalen-2-one
CID 10728296
1-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine
CID 115420847
4-butan-2-yl-1,2-dimethyl-1,2,3,4-tetrahydronaphthalene;3-butan-2-yl-1,5,6-trimethylcyclohexene;4-butan-2-yl-1,2,4-trimethyl-2,3-dihydro-1H-naphthalene;4-butan-2-yl-1,2,7-trimethyl-1,2,3,4-tetrahydronaphthalene;4-(3,4-dimethylcyclohexyl)-1,2-dimethylcyclohexane;1,3,4,6-tetramethyl-1,2,3,3a,4,5,6,6a-octahydropentalene;5,6,12,13-tetramethylhexacyclo[8.4.1.13,8.02,9.04,7.011,14]hexadecane;4,5,9,10-tetramethyltetracyclo[6.2.1.13,6.02,7]dodecane;3,4,8,9-tetramethyltetracyclo[4.4.1.02,5.07,10]undecane;3,4,7,8-tetramethyltricyclo[4.2.1.02,5]nonane
CID 159964696
2-butan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 114714846

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-4-[(2R)-butan-2-yl]-1,2-dimethyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (1S,2S,4S)-4-[(2R)-butan-2-yl]-1,2-dimethyl-1,2,3,4-tetrahydronaphthalene (CID 123233367) is (1S,2S,4S)-4-[(2R)-butan-2-yl]-1,2-dimethyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (1S,2S,4S)-4-[(2R)-butan-2-yl]-1,2-dimethyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (1S,2S,4S)-4-[(2R)-butan-2-yl]-1,2-dimethyl-1,2,3,4-tetrahydronaphthalene is CC[C@@H](C)[C@@H]1C[C@H](C)[C@H](C)c2ccccc21.
What is the InChIKey of (1S,2S,4S)-4-[(2R)-butan-2-yl]-1,2-dimethyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is RUDGJUZSNUTCEC-DVZHBHJUSA-N. The full InChI is InChI=1S/C16H24/c1-5-11(2)16-10-12(3)13(4)14-8-6-7-9-15(14)16/h6-9,11-13,16H,5,10H2,1-4H3/t11-,12+,13+,16+/m1/s1.
What are the key properties of (1S,2S,4S)-4-[(2R)-butan-2-yl]-1,2-dimethyl-1,2,3,4-tetrahydronaphthalene?
(1S,2S,4S)-4-[(2R)-butan-2-yl]-1,2-dimethyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 216.37 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-4-[(2R)-butan-2-yl]-1,2-dimethyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 123233367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).