tri(propan-2-yl)-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane

C23H36OSi — CID 134959745

IUPACtri(propan-2-yl)-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane
SMILESCC(C)[Si](O[C@H]1c2ccccc2C2[C@H]3CCC(C3)[C@H]21)(C(C)C)C(C)C
InChIInChI=1S/C23H36OSi/c1-14(2)25(15(3)4,16(5)6)24-23-20-10-8-7-9-19(20)21-17-11-12-18(13-17)22(21)23/h7-10,14-18,21-23H,11-13H2,1-6H3/t17-,18?,21?,22+,23-/m0/s1
InChIKeyJWMBZGCXGOGZLP-XJZKUGEMSA-N
MW356.63 g/mol
LogP7.06
Rot. Bonds5

About tri(propan-2-yl)-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane

tri(propan-2-yl)-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane (PubChem CID 134959745) has the molecular formula C23H36OSi and a molecular weight of 356.63 g/mol. Its IUPAC name is tri(propan-2-yl)-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane
PubChem CID134959745
Molecular FormulaC23H36OSi
Molecular Weight356.63 g/mol
Exact Mass356.25
IUPAC Nametri(propan-2-yl)-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane
SMILESCC(C)[Si](O[C@H]1c2ccccc2C2[C@H]3CCC(C3)[C@H]21)(C(C)C)C(C)C
InChIInChI=1S/C23H36OSi/c1-14(2)25(15(3)4,16(5)6)24-23-20-10-8-7-9-19(20)21-17-11-12-18(13-17)22(21)23/h7-10,14-18,21-23H,11-13H2,1-6H3/t17-,18?,21?,22+,23-/m0/s1
InChIKeyJWMBZGCXGOGZLP-XJZKUGEMSA-N
XLogP7.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.63
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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[(9S,9aS)-4-phenyl-1,3,9,9a-tetrahydrobenzo[f][2]benzofuran-9-yl]oxy-tri(propan-2-yl)silane
CID 11212325
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CID 101073665
2-[(1R,2R)-2-tri(propan-2-yl)silyloxycyclopropyl]isoindole-1,3-dione
CID 42637666
tri(propan-2-yl)-(1-tritylpiperidin-4-yl)oxysilane
CID 11752377
(1S,2R,10R,11S,12S)-10-(4-propan-2-ylphenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-7-carboxylic acid
CID 124832971
3,4-diphenyltricyclo[4.2.1.02,5]non-3-ene
CID 85345194
heptacyclo[16.6.0.02,9.03,8.010,17.011,16.019,24]tetracosa-3,5,7,11,13,15,19,21,23-nonaene
CID 101073246
2-[(1R,2R,3R,4S)-3-propan-2-yl-2-bicyclo[2.2.1]heptanyl]indene-1,3-dione
CID 159952596
(1R,2S,5R,6S)-3-(methoxymethyl)-4-phenyltricyclo[4.2.1.02,5]non-3-ene
CID 102176616
4-[(1S,2S,10R,11S,12S)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-trien-10-yl]benzoic acid
CID 98044163

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane?
The IUPAC name of tri(propan-2-yl)-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane (CID 134959745) is tri(propan-2-yl)-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane.
What is the SMILES notation for tri(propan-2-yl)-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane?
The canonical SMILES for tri(propan-2-yl)-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane is CC(C)[Si](O[C@H]1c2ccccc2C2[C@H]3CCC(C3)[C@H]21)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane?
The InChIKey is JWMBZGCXGOGZLP-XJZKUGEMSA-N. The full InChI is InChI=1S/C23H36OSi/c1-14(2)25(15(3)4,16(5)6)24-23-20-10-8-7-9-19(20)21-17-11-12-18(13-17)22(21)23/h7-10,14-18,21-23H,11-13H2,1-6H3/t17-,18?,21?,22+,23-/m0/s1.
What are the key properties of tri(propan-2-yl)-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane?
tri(propan-2-yl)-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane has a molecular weight of 356.63 g/mol, XLogP of 7.06, 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)-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane is sourced from PubChem (CID 134959745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).