tri(propan-2-yl)-[(1'S,2'S,5'R,6'R)-spiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-10'-yl]oxysilane

C22H38OSi — CID 146019012

IUPACtri(propan-2-yl)-[(1'S,2'S,5'R,6'R)-spiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-10'-yl]oxysilane
SMILESCC(C)[Si](OC1[C@H]2CCC[C@@H]1[C@H]1C=C[C@@H]2C12CC2)(C(C)C)C(C)C
InChIInChI=1S/C22H38OSi/c1-14(2)24(15(3)4,16(5)6)23-21-17-8-7-9-18(21)20-11-10-19(17)22(20)12-13-22/h10-11,14-21H,7-9,12-13H2,1-6H3/t17-,18+,19-,20+,21?
InChIKeyBHLBMSBCGFUDNK-JUJYPNOZSA-N
MW346.63 g/mol
LogP6.56
Rot. Bonds5

About tri(propan-2-yl)-[(1'S,2'S,5'R,6'R)-spiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-10'-yl]oxysilane

tri(propan-2-yl)-[(1'S,2'S,5'R,6'R)-spiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-10'-yl]oxysilane (PubChem CID 146019012) has the molecular formula C22H38OSi and a molecular weight of 346.63 g/mol. Its IUPAC name is tri(propan-2-yl)-[(1'S,2'S,5'R,6'R)-spiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-10'-yl]oxysilane.

Molecular Properties

Compound Nametri(propan-2-yl)-[(1'S,2'S,5'R,6'R)-spiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-10'-yl]oxysilane
PubChem CID146019012
Molecular FormulaC22H38OSi
Molecular Weight346.63 g/mol
Exact Mass346.27
IUPAC Nametri(propan-2-yl)-[(1'S,2'S,5'R,6'R)-spiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-10'-yl]oxysilane
SMILESCC(C)[Si](OC1[C@H]2CCC[C@@H]1[C@H]1C=C[C@@H]2C12CC2)(C(C)C)C(C)C
InChIInChI=1S/C22H38OSi/c1-14(2)24(15(3)4,16(5)6)23-21-17-8-7-9-18(21)20-11-10-19(17)22(20)12-13-22/h10-11,14-21H,7-9,12-13H2,1-6H3/t17-,18+,19-,20+,21?
InChIKeyBHLBMSBCGFUDNK-JUJYPNOZSA-N
XLogP6.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.63
LogP ≤ 56.56
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

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5alpha-Androst-16-en-3beta-ol trimethylsilyl ether
CID 91697345
tert-butyl-[[(1S,2S,4S,5S)-4-[2-[(1R)-1,3-dimethylcyclopent-2-en-1-yl]ethyl]-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane
CID 11749629
tert-butyl-[[(1S,2S,4S,5S)-4-[(3S)-3,7-dimethyloct-6-enyl]-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane
CID 134865393
[(5S,6R,9S,10R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-yl]oxy-triethylsilane
CID 135019405
(1'S,2'S,5'R,6'R)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-8'-one
CID 146020456
tert-butyl-dimethyl-[(1'R,2'R,5'S,6'S)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-8'-yl]oxysilane
CID 146020461
[(3R,3aS,5aR,7S,9aS,9bS)-3-methoxy-3a,6,6,9a-tetramethyl-3,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-7-yl]oxy-tri(propan-2-yl)silane
CID 146166913
tert-butyl-[[(3S,8R,9S,10S,13R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane
CID 90662652
tert-butyl-[[(3S,8R,10S,13R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane
CID 6711345
5-alpha,16-Androsten-3-alpha-ol, TMS
CID 6427201
5,16-Androstadien-3-beta-ol, TMS
CID 6427798

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[(1'S,2'S,5'R,6'R)-spiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-10'-yl]oxysilane?
The IUPAC name of tri(propan-2-yl)-[(1'S,2'S,5'R,6'R)-spiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-10'-yl]oxysilane (CID 146019012) is tri(propan-2-yl)-[(1'S,2'S,5'R,6'R)-spiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-10'-yl]oxysilane.
What is the SMILES notation for tri(propan-2-yl)-[(1'S,2'S,5'R,6'R)-spiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-10'-yl]oxysilane?
The canonical SMILES for tri(propan-2-yl)-[(1'S,2'S,5'R,6'R)-spiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-10'-yl]oxysilane is CC(C)[Si](OC1[C@H]2CCC[C@@H]1[C@H]1C=C[C@@H]2C12CC2)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[(1'S,2'S,5'R,6'R)-spiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-10'-yl]oxysilane?
The InChIKey is BHLBMSBCGFUDNK-JUJYPNOZSA-N. The full InChI is InChI=1S/C22H38OSi/c1-14(2)24(15(3)4,16(5)6)23-21-17-8-7-9-18(21)20-11-10-19(17)22(20)12-13-22/h10-11,14-21H,7-9,12-13H2,1-6H3/t17-,18+,19-,20+,21?.
What are the key properties of tri(propan-2-yl)-[(1'S,2'S,5'R,6'R)-spiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-10'-yl]oxysilane?
tri(propan-2-yl)-[(1'S,2'S,5'R,6'R)-spiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-10'-yl]oxysilane has a molecular weight of 346.63 g/mol, XLogP of 6.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[(1'S,2'S,5'R,6'R)-spiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-10'-yl]oxysilane is sourced from PubChem (CID 146019012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).