[(3aR,4S)-3a,4-dimethyl-1,2,3,4,5,6-hexahydroinden-1-yl]oxy-tri(propan-2-yl)silane

C20H38OSi — CID 11594946

IUPAC[(3aR,4S)-3a,4-dimethyl-1,2,3,4,5,6-hexahydroinden-1-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC1CC[C@@]2(C)C1=CCC[C@@H]2C)(C(C)C)C(C)C
InChIInChI=1S/C20H38OSi/c1-14(2)22(15(3)4,16(5)6)21-19-12-13-20(8)17(7)10-9-11-18(19)20/h11,14-17,19H,9-10,12-13H2,1-8H3/t17-,19?,20+/m0/s1
InChIKeyZFIKAIIYGGDWHF-JVPALSCHSA-N
MW322.61 g/mol
LogP6.70
Rot. Bonds5

About [(3aR,4S)-3a,4-dimethyl-1,2,3,4,5,6-hexahydroinden-1-yl]oxy-tri(propan-2-yl)silane

[(3aR,4S)-3a,4-dimethyl-1,2,3,4,5,6-hexahydroinden-1-yl]oxy-tri(propan-2-yl)silane (PubChem CID 11594946) has the molecular formula C20H38OSi and a molecular weight of 322.61 g/mol. Its IUPAC name is [(3aR,4S)-3a,4-dimethyl-1,2,3,4,5,6-hexahydroinden-1-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3aR,4S)-3a,4-dimethyl-1,2,3,4,5,6-hexahydroinden-1-yl]oxy-tri(propan-2-yl)silane
PubChem CID11594946
Molecular FormulaC20H38OSi
Molecular Weight322.61 g/mol
Exact Mass322.27
IUPAC Name[(3aR,4S)-3a,4-dimethyl-1,2,3,4,5,6-hexahydroinden-1-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC1CC[C@@]2(C)C1=CCC[C@@H]2C)(C(C)C)C(C)C
InChIInChI=1S/C20H38OSi/c1-14(2)22(15(3)4,16(5)6)21-19-12-13-20(8)17(7)10-9-11-18(19)20/h11,14-17,19H,9-10,12-13H2,1-8H3/t17-,19?,20+/m0/s1
InChIKeyZFIKAIIYGGDWHF-JVPALSCHSA-N
XLogP6.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.61
LogP ≤ 56.70
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

2-[[(1S,7S,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-methyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane
CID 11133057
tert-Butyldimethyl(((S)-4-((1R,2S)-1-methyl-2-(prop-1-en-2-yl)cyclobutyl)cyclohex-1-en-1-yl)methoxy)silane
CID 60147452
tert-Butyldimethyl(((S)-4-((1S,2S)-1-methyl-2-(prop-1-en-2-yl)cyclobutyl)cyclohex-1-en-1-yl)methoxy)silane
CID 60147456
tert-Butyldimethyl(((R)-4-((1S,2S)-1-methyl-2-(prop-1-en-2-yl)cyclobutyl)cyclohex-1-en-1-yl)methoxy)silane
CID 60147471
tert-Butyldimethyl(((R)-4-((1R,2S)-1-methyl-2-(prop-1-en-2-yl)cyclobutyl)cyclohex-1-en-1-yl)methoxy)silane
CID 60147477
(3a,4-Dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl)oxy-tert-butyl-dimethylsilane
CID 75218881
Tert-butyl-[(3-decylcyclopenten-1-yl)methoxy]-dimethylsilane
CID 101011318
[(1S,3aR,5S,7aR)-5-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
CID 134899502
Tert-butyl-(4-decyl-2-methylcyclopent-2-en-1-yl)oxy-dimethylsilane
CID 134905111
[(3aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3-methylidene-2,4,5,6-tetrahydro-1H-inden-5-yl]oxy-tert-butyl-dimethylsilane
CID 134983644
[(1R,5S)-6-butyl-5-methyl-2,3,4,5-tetrahydro-1H-inden-1-yl]oxy-tri(propan-2-yl)silane
CID 135014361
Tert-butyl-(5-hexyl-3-methylcyclopent-2-en-1-yl)oxy-dimethylsilane
CID 135070894

Frequently Asked Questions

What is the IUPAC name of [(3aR,4S)-3a,4-dimethyl-1,2,3,4,5,6-hexahydroinden-1-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(3aR,4S)-3a,4-dimethyl-1,2,3,4,5,6-hexahydroinden-1-yl]oxy-tri(propan-2-yl)silane (CID 11594946) is [(3aR,4S)-3a,4-dimethyl-1,2,3,4,5,6-hexahydroinden-1-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(3aR,4S)-3a,4-dimethyl-1,2,3,4,5,6-hexahydroinden-1-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(3aR,4S)-3a,4-dimethyl-1,2,3,4,5,6-hexahydroinden-1-yl]oxy-tri(propan-2-yl)silane is CC(C)[Si](OC1CC[C@@]2(C)C1=CCC[C@@H]2C)(C(C)C)C(C)C.
What is the InChIKey of [(3aR,4S)-3a,4-dimethyl-1,2,3,4,5,6-hexahydroinden-1-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is ZFIKAIIYGGDWHF-JVPALSCHSA-N. The full InChI is InChI=1S/C20H38OSi/c1-14(2)22(15(3)4,16(5)6)21-19-12-13-20(8)17(7)10-9-11-18(19)20/h11,14-17,19H,9-10,12-13H2,1-8H3/t17-,19?,20+/m0/s1.
What are the key properties of [(3aR,4S)-3a,4-dimethyl-1,2,3,4,5,6-hexahydroinden-1-yl]oxy-tri(propan-2-yl)silane?
[(3aR,4S)-3a,4-dimethyl-1,2,3,4,5,6-hexahydroinden-1-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 322.61 g/mol, XLogP of 6.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,4S)-3a,4-dimethyl-1,2,3,4,5,6-hexahydroinden-1-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11594946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).