tert-butyl-dimethyl-[(3,7,8-trimethyl-3-prop-1-enyl-4,4a,5,6,7,8-hexahydro-2H-naphthalen-1-yl)oxy]silane

C22H40OSi — CID 54113016

IUPACtert-butyl-dimethyl-[(3,7,8-trimethyl-3-prop-1-enyl-4,4a,5,6,7,8-hexahydro-2H-naphthalen-1-yl)oxy]silane
SMILESCC=CC1(C)CC(O[Si](C)(C)C(C)(C)C)=C2C(CCC(C)C2C)C1
InChIInChI=1S/C22H40OSi/c1-10-13-22(7)14-18-12-11-16(2)17(3)20(18)19(15-22)23-24(8,9)21(4,5)6/h10,13,16-18H,11-12,14-15H2,1-9H3
InChIKeyNIKAQMZVOKODSU-UHFFFAOYSA-N
MW348.65 g/mol
LogP7.32
Rot. Bonds3

About tert-butyl-dimethyl-[(3,7,8-trimethyl-3-prop-1-enyl-4,4a,5,6,7,8-hexahydro-2H-naphthalen-1-yl)oxy]silane

tert-butyl-dimethyl-[(3,7,8-trimethyl-3-prop-1-enyl-4,4a,5,6,7,8-hexahydro-2H-naphthalen-1-yl)oxy]silane (PubChem CID 54113016) has the molecular formula C22H40OSi and a molecular weight of 348.65 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3,7,8-trimethyl-3-prop-1-enyl-4,4a,5,6,7,8-hexahydro-2H-naphthalen-1-yl)oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3,7,8-trimethyl-3-prop-1-enyl-4,4a,5,6,7,8-hexahydro-2H-naphthalen-1-yl)oxy]silane
PubChem CID54113016
Molecular FormulaC22H40OSi
Molecular Weight348.65 g/mol
Exact Mass348.28
IUPAC Nametert-butyl-dimethyl-[(3,7,8-trimethyl-3-prop-1-enyl-4,4a,5,6,7,8-hexahydro-2H-naphthalen-1-yl)oxy]silane
SMILESCC=CC1(C)CC(O[Si](C)(C)C(C)(C)C)=C2C(CCC(C)C2C)C1
InChIInChI=1S/C22H40OSi/c1-10-13-22(7)14-18-12-11-16(2)17(3)20(18)19(15-22)23-24(8,9)21(4,5)6/h10,13,16-18H,11-12,14-15H2,1-9H3
InChIKeyNIKAQMZVOKODSU-UHFFFAOYSA-N
XLogP7.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.65
LogP ≤ 57.32
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

5alpha-Androstan-3,17-dione, 3,17-bis(trimethylsilyl) enol ether
CID 6421188
Boldione, di-trimethylsilyl
CID 91696786
Androst-4-en-3,17-dione, TMS
CID 91748447
((3-(Tert-butyl)cyclohex-1-en-1-yl)oxy)triethylsilane
CID 101998066
[(4aS,5R,8aS)-4a,5-dimethyl-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane
CID 134901464
[(3S,6S)-3-butyl-6-tert-butylcyclohexen-1-yl]oxy-trimethylsilane
CID 134922475
[(3R,6S)-3-butyl-6-tert-butylcyclohexen-1-yl]oxy-trimethylsilane
CID 134922490
[(3aS,5R,7aS)-7a-methyl-5-prop-1-en-2-yl-4,5,6,7-tetrahydro-1H-inden-3a-yl]methoxy-tri(propan-2-yl)silane
CID 134945478
3,4,4a,5,6,7,8,8a-Octahydronaphthalen-1-yloxy-tri(propan-2-yl)silane
CID 134969130
tri(propan-2-yl)-[[(1S,3E,7E,11R)-1,4,8-trimethyl-13-bicyclo[9.4.0]pentadeca-3,7,12-trienyl]oxy]silane
CID 134979719
tert-butyl-dimethyl-[(5R)-5-methyl-5-[(E)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]ethenyl]non-8-enoxy]silane
CID 139263604
5-alpha,16-Androsten-3-one, TMS
CID 6427799

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3,7,8-trimethyl-3-prop-1-enyl-4,4a,5,6,7,8-hexahydro-2H-naphthalen-1-yl)oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(3,7,8-trimethyl-3-prop-1-enyl-4,4a,5,6,7,8-hexahydro-2H-naphthalen-1-yl)oxy]silane (CID 54113016) is tert-butyl-dimethyl-[(3,7,8-trimethyl-3-prop-1-enyl-4,4a,5,6,7,8-hexahydro-2H-naphthalen-1-yl)oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(3,7,8-trimethyl-3-prop-1-enyl-4,4a,5,6,7,8-hexahydro-2H-naphthalen-1-yl)oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(3,7,8-trimethyl-3-prop-1-enyl-4,4a,5,6,7,8-hexahydro-2H-naphthalen-1-yl)oxy]silane is CC=CC1(C)CC(O[Si](C)(C)C(C)(C)C)=C2C(CCC(C)C2C)C1.
What is the InChIKey of tert-butyl-dimethyl-[(3,7,8-trimethyl-3-prop-1-enyl-4,4a,5,6,7,8-hexahydro-2H-naphthalen-1-yl)oxy]silane?
The InChIKey is NIKAQMZVOKODSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40OSi/c1-10-13-22(7)14-18-12-11-16(2)17(3)20(18)19(15-22)23-24(8,9)21(4,5)6/h10,13,16-18H,11-12,14-15H2,1-9H3.
What are the key properties of tert-butyl-dimethyl-[(3,7,8-trimethyl-3-prop-1-enyl-4,4a,5,6,7,8-hexahydro-2H-naphthalen-1-yl)oxy]silane?
tert-butyl-dimethyl-[(3,7,8-trimethyl-3-prop-1-enyl-4,4a,5,6,7,8-hexahydro-2H-naphthalen-1-yl)oxy]silane has a molecular weight of 348.65 g/mol, XLogP of 7.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3,7,8-trimethyl-3-prop-1-enyl-4,4a,5,6,7,8-hexahydro-2H-naphthalen-1-yl)oxy]silane is sourced from PubChem (CID 54113016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).