tert-butyl-[[1-[2-[5-[tert-butyl(dimethyl)silyl]oxy-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl]ethyl]-3a,4,5,6,7,7a-hexahydro-3H-inden-5-yl]oxy]-dimethylsilane

C32H58O2Si2 — CID 58666151

IUPACtert-butyl-[[1-[2-[5-[tert-butyl(dimethyl)silyl]oxy-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl]ethyl]-3a,4,5,6,7,7a-hexahydro-3H-inden-5-yl]oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCC2C(CCC3=CCC4CC(O[Si](C)(C)C(C)(C)C)CCC34)=CCC2C1
InChIInChI=1S/C32H58O2Si2/c1-31(2,3)35(7,8)33-27-17-19-29-23(13-15-25(29)21-27)11-12-24-14-16-26-22-28(18-20-30(24)26)34-36(9,10)32(4,5)6/h13-14,25-30H,11-12,15-22H2,1-10H3
InChIKeyNDCMKUBOHYSOSC-UHFFFAOYSA-N
MW530.99 g/mol
LogP10.04
Rot. Bonds7

About tert-butyl-[[1-[2-[5-[tert-butyl(dimethyl)silyl]oxy-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl]ethyl]-3a,4,5,6,7,7a-hexahydro-3H-inden-5-yl]oxy]-dimethylsilane

tert-butyl-[[1-[2-[5-[tert-butyl(dimethyl)silyl]oxy-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl]ethyl]-3a,4,5,6,7,7a-hexahydro-3H-inden-5-yl]oxy]-dimethylsilane (PubChem CID 58666151) has the molecular formula C32H58O2Si2 and a molecular weight of 530.99 g/mol. Its IUPAC name is tert-butyl-[[1-[2-[5-[tert-butyl(dimethyl)silyl]oxy-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl]ethyl]-3a,4,5,6,7,7a-hexahydro-3H-inden-5-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[1-[2-[5-[tert-butyl(dimethyl)silyl]oxy-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl]ethyl]-3a,4,5,6,7,7a-hexahydro-3H-inden-5-yl]oxy]-dimethylsilane
PubChem CID58666151
Molecular FormulaC32H58O2Si2
Molecular Weight530.99 g/mol
Exact Mass530.40
IUPAC Nametert-butyl-[[1-[2-[5-[tert-butyl(dimethyl)silyl]oxy-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl]ethyl]-3a,4,5,6,7,7a-hexahydro-3H-inden-5-yl]oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCC2C(CCC3=CCC4CC(O[Si](C)(C)C(C)(C)C)CCC34)=CCC2C1
InChIInChI=1S/C32H58O2Si2/c1-31(2,3)35(7,8)33-27-17-19-29-23(13-15-25(29)21-27)11-12-24-14-16-26-22-28(18-20-30(24)26)34-36(9,10)32(4,5)6/h13-14,25-30H,11-12,15-22H2,1-10H3
InChIKeyNDCMKUBOHYSOSC-UHFFFAOYSA-N
XLogP10.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.99
LogP ≤ 510.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-[[1-[2-[5-[tert-butyl(dimethyl)silyl]oxy-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl]ethyl]-3a,4,5,6,7,7a-hexahydro-3H-inden-5-yl]oxy]-dimethylsilane with MolForge

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Related Compounds

2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3,4,4a,7a,8,9,10,11,11a,14a-dodecahydropentacene-5,7,12,14-tetrone
CID 59165100
tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane
CID 142783605
[(1R,3E,6S)-3-butan-2-yl-6-[tert-butyl(dimethyl)silyl]oxycyclooct-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 10906055
[(1S)-3-bromocyclopent-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 10880391
tert-butyl-(4-tert-butylcyclohexyl)oxy-dimethylsilane
CID 11021977
tert-butyl-cyclohept-4-en-1-yloxy-dimethylsilane
CID 11085508
tert-butyl-dimethyl-(3-methylcyclohexyl)oxysilane
CID 14087160
[(5R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-yl]oxy-tert-butyl-dimethylsilane
CID 58853162
[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl] acetate
CID 54211622
N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2H-triazol-4-amine
CID 67010143
ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
CID 141450623
[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanol
CID 66698189

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[1-[2-[5-[tert-butyl(dimethyl)silyl]oxy-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl]ethyl]-3a,4,5,6,7,7a-hexahydro-3H-inden-5-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[1-[2-[5-[tert-butyl(dimethyl)silyl]oxy-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl]ethyl]-3a,4,5,6,7,7a-hexahydro-3H-inden-5-yl]oxy]-dimethylsilane (CID 58666151) is tert-butyl-[[1-[2-[5-[tert-butyl(dimethyl)silyl]oxy-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl]ethyl]-3a,4,5,6,7,7a-hexahydro-3H-inden-5-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[1-[2-[5-[tert-butyl(dimethyl)silyl]oxy-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl]ethyl]-3a,4,5,6,7,7a-hexahydro-3H-inden-5-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[1-[2-[5-[tert-butyl(dimethyl)silyl]oxy-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl]ethyl]-3a,4,5,6,7,7a-hexahydro-3H-inden-5-yl]oxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CCC2C(CCC3=CCC4CC(O[Si](C)(C)C(C)(C)C)CCC34)=CCC2C1.
What is the InChIKey of tert-butyl-[[1-[2-[5-[tert-butyl(dimethyl)silyl]oxy-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl]ethyl]-3a,4,5,6,7,7a-hexahydro-3H-inden-5-yl]oxy]-dimethylsilane?
The InChIKey is NDCMKUBOHYSOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H58O2Si2/c1-31(2,3)35(7,8)33-27-17-19-29-23(13-15-25(29)21-27)11-12-24-14-16-26-22-28(18-20-30(24)26)34-36(9,10)32(4,5)6/h13-14,25-30H,11-12,15-22H2,1-10H3.
What are the key properties of tert-butyl-[[1-[2-[5-[tert-butyl(dimethyl)silyl]oxy-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl]ethyl]-3a,4,5,6,7,7a-hexahydro-3H-inden-5-yl]oxy]-dimethylsilane?
tert-butyl-[[1-[2-[5-[tert-butyl(dimethyl)silyl]oxy-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl]ethyl]-3a,4,5,6,7,7a-hexahydro-3H-inden-5-yl]oxy]-dimethylsilane has a molecular weight of 530.99 g/mol, XLogP of 10.04, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[1-[2-[5-[tert-butyl(dimethyl)silyl]oxy-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl]ethyl]-3a,4,5,6,7,7a-hexahydro-3H-inden-5-yl]oxy]-dimethylsilane is sourced from PubChem (CID 58666151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).