(1S,4S)-4-[(2S)-1-iodopropan-2-yl]-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene

C15H21I — CID 24806500

IUPAC(1S,4S)-4-[(2S)-1-iodopropan-2-yl]-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene
SMILESCc1ccc2c(c1)[C@H]([C@H](C)CI)CC[C@@H]2C
InChIInChI=1S/C15H21I/c1-10-4-6-13-11(2)5-7-14(12(3)9-16)15(13)8-10/h4,6,8,11-12,14H,5,7,9H2,1-3H3/t11-,12+,14-/m0/s1
InChIKeyJSKYPTHKCJPEIC-SCRDCRAPSA-N
MW328.24 g/mol
LogP5.05
Rot. Bonds2

About (1S,4S)-4-[(2S)-1-iodopropan-2-yl]-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene

(1S,4S)-4-[(2S)-1-iodopropan-2-yl]-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 24806500) has the molecular formula C15H21I and a molecular weight of 328.24 g/mol. Its IUPAC name is (1S,4S)-4-[(2S)-1-iodopropan-2-yl]-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(1S,4S)-4-[(2S)-1-iodopropan-2-yl]-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene
PubChem CID24806500
Molecular FormulaC15H21I
Molecular Weight328.24 g/mol
Exact Mass328.07
IUPAC Name(1S,4S)-4-[(2S)-1-iodopropan-2-yl]-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene
SMILESCc1ccc2c(c1)[C@H]([C@H](C)CI)CC[C@@H]2C
InChIInChI=1S/C15H21I/c1-10-4-6-13-11(2)5-7-14(12(3)9-16)15(13)8-10/h4,6,8,11-12,14H,5,7,9H2,1-3H3/t11-,12+,14-/m0/s1
InChIKeyJSKYPTHKCJPEIC-SCRDCRAPSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.24
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 6429077
2-[(1R,4S)-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanol
CID 57386974
4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 155465000
(5R,8S)-5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 156581280
(5S,8R)-5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
CID 162949019
5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
CID 162949018
(2S)-2-[(1S,4R)-4,7-dimethyl-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]propan-1-ol
CID 10923423
propane;1,2,4,7-tetramethyl-1,2,3,4-tetrahydronaphthalene
CID 143829335
2,6,9,10-tetramethyl-9,10-dihydroanthracene
CID 140827349
1-ethyl-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 64689567
(5R,8S)-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 13368072
(1S,4R)-4,5,7-trimethyl-1-[(2S)-6-methylhept-5-en-2-yl]-1,2,3,4-tetrahydronaphthalene
CID 168801112

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-4-[(2S)-1-iodopropan-2-yl]-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (1S,4S)-4-[(2S)-1-iodopropan-2-yl]-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene (CID 24806500) is (1S,4S)-4-[(2S)-1-iodopropan-2-yl]-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (1S,4S)-4-[(2S)-1-iodopropan-2-yl]-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (1S,4S)-4-[(2S)-1-iodopropan-2-yl]-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene is Cc1ccc2c(c1)[C@H]([C@H](C)CI)CC[C@@H]2C.
What is the InChIKey of (1S,4S)-4-[(2S)-1-iodopropan-2-yl]-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is JSKYPTHKCJPEIC-SCRDCRAPSA-N. The full InChI is InChI=1S/C15H21I/c1-10-4-6-13-11(2)5-7-14(12(3)9-16)15(13)8-10/h4,6,8,11-12,14H,5,7,9H2,1-3H3/t11-,12+,14-/m0/s1.
What are the key properties of (1S,4S)-4-[(2S)-1-iodopropan-2-yl]-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene?
(1S,4S)-4-[(2S)-1-iodopropan-2-yl]-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 328.24 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-4-[(2S)-1-iodopropan-2-yl]-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 24806500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).