[(1S,4aS,8aS)-2,5,8a-trimethyl-4,4a,7,8-tetrahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane

C20H36OSi — CID 11186295

IUPAC[(1S,4aS,8aS)-2,5,8a-trimethyl-4,4a,7,8-tetrahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC1=CCC[C@@]2(C)[C@H]1CC=C(C)[C@@H]2CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36OSi/c1-15-10-9-13-20(6)17(15)12-11-16(2)18(20)14-21-22(7,8)19(3,4)5/h10-11,17-18H,9,12-14H2,1-8H3/t17-,18-,20-/m0/s1
InChIKeyXJELNRXWNPMEDB-BJLQDIEVSA-N
MW320.59 g/mol
LogP6.34
Rot. Bonds3

About [(1S,4aS,8aS)-2,5,8a-trimethyl-4,4a,7,8-tetrahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane

[(1S,4aS,8aS)-2,5,8a-trimethyl-4,4a,7,8-tetrahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 11186295) has the molecular formula C20H36OSi and a molecular weight of 320.59 g/mol. Its IUPAC name is [(1S,4aS,8aS)-2,5,8a-trimethyl-4,4a,7,8-tetrahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S,4aS,8aS)-2,5,8a-trimethyl-4,4a,7,8-tetrahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID11186295
Molecular FormulaC20H36OSi
Molecular Weight320.59 g/mol
Exact Mass320.25
IUPAC Name[(1S,4aS,8aS)-2,5,8a-trimethyl-4,4a,7,8-tetrahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC1=CCC[C@@]2(C)[C@H]1CC=C(C)[C@@H]2CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36OSi/c1-15-10-9-13-20(6)17(15)12-11-16(2)18(20)14-21-22(7,8)19(3,4)5/h10-11,17-18H,9,12-14H2,1-8H3/t17-,18-,20-/m0/s1
InChIKeyXJELNRXWNPMEDB-BJLQDIEVSA-N
XLogP6.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.59
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(S)-tert-butyl((3,7-dimethyloct-6-en-1-yl)oxy)dimethylsilane
CID 22882877
beta-Citronellol, TBDMS derivative
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3,7-Dimethyloct-6-enoxy(triethyl)silane
CID 72751260
[(4aS,8aS)-4,8a-dihydro-3H-naphthalen-4a-yl]methoxy-tert-butyl-dimethylsilane
CID 10891131
[(1R,6S)-2-(bromomethyl)-1,6-dimethylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane
CID 11452085
Tert-butyl-[2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethoxy]-dimethylsilane
CID 12164613
Tert-butyl(dimethyl)silyl (3R)-3,7-dimethyl-6-octenyl ether
CID 14336178
tert-butyl-[(4S,6S)-5,5-dimethyl-4,6-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane
CID 16732642
tert-butyl-dimethyl-[[(1R,5S,6R)-2,7,7-trimethyl-6-bicyclo[3.1.1]hept-2-enyl]oxy]silane
CID 134865480
[(4aS,8aR)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,8a-dihydro-3H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane
CID 135002588
Tert-butyl-dimethyl-[2-(3-methylcyclohex-3-en-1-yl)ethoxy]silane
CID 138974292
t-Butyl-dimethyl-[2-(4-methyl-cyclohex-3-enyl)-propoxy]-silane
CID 584625

Frequently Asked Questions

What is the IUPAC name of [(1S,4aS,8aS)-2,5,8a-trimethyl-4,4a,7,8-tetrahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1S,4aS,8aS)-2,5,8a-trimethyl-4,4a,7,8-tetrahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane (CID 11186295) is [(1S,4aS,8aS)-2,5,8a-trimethyl-4,4a,7,8-tetrahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S,4aS,8aS)-2,5,8a-trimethyl-4,4a,7,8-tetrahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S,4aS,8aS)-2,5,8a-trimethyl-4,4a,7,8-tetrahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane is CC1=CCC[C@@]2(C)[C@H]1CC=C(C)[C@@H]2CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1S,4aS,8aS)-2,5,8a-trimethyl-4,4a,7,8-tetrahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is XJELNRXWNPMEDB-BJLQDIEVSA-N. The full InChI is InChI=1S/C20H36OSi/c1-15-10-9-13-20(6)17(15)12-11-16(2)18(20)14-21-22(7,8)19(3,4)5/h10-11,17-18H,9,12-14H2,1-8H3/t17-,18-,20-/m0/s1.
What are the key properties of [(1S,4aS,8aS)-2,5,8a-trimethyl-4,4a,7,8-tetrahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane?
[(1S,4aS,8aS)-2,5,8a-trimethyl-4,4a,7,8-tetrahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 320.59 g/mol, XLogP of 6.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4aS,8aS)-2,5,8a-trimethyl-4,4a,7,8-tetrahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11186295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).