[(2S,3R)-2,3-dipropyl-4-trimethylsilyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-trimethylsilane

C22H42Si2 — CID 134832828

IUPAC[(2S,3R)-2,3-dipropyl-4-trimethylsilyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-trimethylsilane
SMILESCCC[C@@H]1C([Si](C)(C)C)=C2CCCCC2=C([Si](C)(C)C)[C@@H]1CCC
InChIInChI=1S/C22H42Si2/c1-9-13-17-18(14-10-2)22(24(6,7)8)20-16-12-11-15-19(20)21(17)23(3,4)5/h17-18H,9-16H2,1-8H3/t17-,18+
InChIKeySJTYVUDYXHSKAO-HDICACEKSA-N
MW362.75 g/mol
LogP7.75
Rot. Bonds6

About [(2S,3R)-2,3-dipropyl-4-trimethylsilyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-trimethylsilane

[(2S,3R)-2,3-dipropyl-4-trimethylsilyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-trimethylsilane (PubChem CID 134832828) has the molecular formula C22H42Si2 and a molecular weight of 362.75 g/mol. Its IUPAC name is [(2S,3R)-2,3-dipropyl-4-trimethylsilyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-trimethylsilane.

Molecular Properties

Compound Name[(2S,3R)-2,3-dipropyl-4-trimethylsilyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-trimethylsilane
PubChem CID134832828
Molecular FormulaC22H42Si2
Molecular Weight362.75 g/mol
Exact Mass362.28
IUPAC Name[(2S,3R)-2,3-dipropyl-4-trimethylsilyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-trimethylsilane
SMILESCCC[C@@H]1C([Si](C)(C)C)=C2CCCCC2=C([Si](C)(C)C)[C@@H]1CCC
InChIInChI=1S/C22H42Si2/c1-9-13-17-18(14-10-2)22(24(6,7)8)20-16-12-11-15-19(20)21(17)23(3,4)5/h17-18H,9-16H2,1-8H3/t17-,18+
InChIKeySJTYVUDYXHSKAO-HDICACEKSA-N
XLogP7.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.75
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(4aR,9aS)-10-trimethylsilyl-1,2,3,4,4a,5,6,7,8,9a-decahydroanthracen-9-yl]-trimethylsilane
CID 134832827
[(2R,3R)-2,3-dipropyl-4-trimethylsilyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-trimethylsilane
CID 101514007
[2-(4-Tert-butylcyclohexylidene)-3-trimethylsilylpropyl]-trimethylsilane
CID 102154705
[(4aS,8aS)-1-(2-methylprop-1-enyl)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl-tris(trimethylsilyl)silane
CID 102298564
(5-Cyclohexyl-4-ethyl-1,1-dimethylsilol-2-yl)-trimethylsilane
CID 134968531
Trimethyl(2,3,3a,4,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-5-yl)silane
CID 13273605
(1,2,3,4,5,6,7,8,10,10a-Decahydrophenanthren-9-yl)(trimethyl)silane
CID 13273618
trimethyl-[2-methyl-3-(trimethylsilylmethyl)-4,5,6,7-tetrahydro-3H-inden-1-yl]silane
CID 17783110
2-(4-Cyclohexylcyclohexyl)-5-(1,1-diethyl-3,4,5-trimethylsilol-2-yl)-1,1-diethyl-3,4-dimethylsilole
CID 140435075
[(E)-4-cyclohexyl-2,3-dimethylbut-2-enyl]-triethylsilane
CID 10779163
[(4aR,8aS)-4-trimethylsilyl-4a,5,6,7,8,8a-hexahydronaphthalen-1-yl]-trimethylsilane
CID 11076786
[(1S,8aR)-4-trimethylsilyl-1,5,6,7,8,8a-hexahydronaphthalen-1-yl]-trimethylsilane
CID 11119434

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2,3-dipropyl-4-trimethylsilyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-trimethylsilane?
The IUPAC name of [(2S,3R)-2,3-dipropyl-4-trimethylsilyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-trimethylsilane (CID 134832828) is [(2S,3R)-2,3-dipropyl-4-trimethylsilyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-trimethylsilane.
What is the SMILES notation for [(2S,3R)-2,3-dipropyl-4-trimethylsilyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-trimethylsilane?
The canonical SMILES for [(2S,3R)-2,3-dipropyl-4-trimethylsilyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-trimethylsilane is CCC[C@@H]1C([Si](C)(C)C)=C2CCCCC2=C([Si](C)(C)C)[C@@H]1CCC.
What is the InChIKey of [(2S,3R)-2,3-dipropyl-4-trimethylsilyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-trimethylsilane?
The InChIKey is SJTYVUDYXHSKAO-HDICACEKSA-N. The full InChI is InChI=1S/C22H42Si2/c1-9-13-17-18(14-10-2)22(24(6,7)8)20-16-12-11-15-19(20)21(17)23(3,4)5/h17-18H,9-16H2,1-8H3/t17-,18+.
What are the key properties of [(2S,3R)-2,3-dipropyl-4-trimethylsilyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-trimethylsilane?
[(2S,3R)-2,3-dipropyl-4-trimethylsilyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-trimethylsilane has a molecular weight of 362.75 g/mol, XLogP of 7.75, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2,3-dipropyl-4-trimethylsilyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-trimethylsilane is sourced from PubChem (CID 134832828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).