5-(9-borabicyclo[3.3.1]nonan-9-yl)pentoxy-tri(propan-2-yl)silane

C22H45BOSi — CID 102134711

IUPAC5-(9-borabicyclo[3.3.1]nonan-9-yl)pentoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCCCCCB1C2CCCC1CCC2)(C(C)C)C(C)C
InChIInChI=1S/C22H45BOSi/c1-18(2)25(19(3)4,20(5)6)24-17-9-7-8-16-23-21-12-10-13-22(23)15-11-14-21/h18-22H,7-17H2,1-6H3
InChIKeyGILZRRKFHVSABR-UHFFFAOYSA-N
MW364.50 g/mol
LogP7.95
Rot. Bonds10

About 5-(9-borabicyclo[3.3.1]nonan-9-yl)pentoxy-tri(propan-2-yl)silane

5-(9-borabicyclo[3.3.1]nonan-9-yl)pentoxy-tri(propan-2-yl)silane (PubChem CID 102134711) has the molecular formula C22H45BOSi and a molecular weight of 364.50 g/mol. Its IUPAC name is 5-(9-borabicyclo[3.3.1]nonan-9-yl)pentoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name5-(9-borabicyclo[3.3.1]nonan-9-yl)pentoxy-tri(propan-2-yl)silane
PubChem CID102134711
Molecular FormulaC22H45BOSi
Molecular Weight364.50 g/mol
Exact Mass364.33
IUPAC Name5-(9-borabicyclo[3.3.1]nonan-9-yl)pentoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCCCCCB1C2CCCC1CCC2)(C(C)C)C(C)C
InChIInChI=1S/C22H45BOSi/c1-18(2)25(19(3)4,20(5)6)24-17-9-7-8-16-23-21-12-10-13-22(23)15-11-14-21/h18-22H,7-17H2,1-6H3
InChIKeyGILZRRKFHVSABR-UHFFFAOYSA-N
XLogP7.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.50
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-[10-(9-borabicyclo[3.3.1]nonan-9-yl)decyl]-9-borabicyclo[3.3.1]nonane
CID 578804
2-cyclobutylethoxy-tri(propan-2-yl)silane
CID 173117664
6-chlorohexoxy-tri(propan-2-yl)silane
CID 89400729
6-bromohexoxy-tri(propan-2-yl)silane
CID 89400609
9-hex-5-enyl-9-borabicyclo[3.3.1]nonane
CID 577399
2-[14-(9-borabicyclo[3.3.1]nonan-9-yl)tetradecyl]-5-methylfuran
CID 10810886
[5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dideuteriopentoxy]-tert-butyl-diphenylsilane
CID 11662339
2-[6-(9-borabicyclo[3.3.1]nonan-9-yl)hexyl]-2-hexyl-1,3-dioxolane
CID 11002954
trimethyl-[(E)-9-tri(propan-2-yl)silyloxynon-2-en-4-yl]silane
CID 102450629
9-[3-(3,4-dimethoxyphenyl)propyl]-9-borabicyclo[3.3.1]nonane
CID 14172418
9-hexoxy-9-borabicyclo[3.3.1]nonane
CID 86146265
4-tri(propan-2-yl)silyloxybutanethioamide
CID 146014175

Frequently Asked Questions

What is the IUPAC name of 5-(9-borabicyclo[3.3.1]nonan-9-yl)pentoxy-tri(propan-2-yl)silane?
The IUPAC name of 5-(9-borabicyclo[3.3.1]nonan-9-yl)pentoxy-tri(propan-2-yl)silane (CID 102134711) is 5-(9-borabicyclo[3.3.1]nonan-9-yl)pentoxy-tri(propan-2-yl)silane.
What is the SMILES notation for 5-(9-borabicyclo[3.3.1]nonan-9-yl)pentoxy-tri(propan-2-yl)silane?
The canonical SMILES for 5-(9-borabicyclo[3.3.1]nonan-9-yl)pentoxy-tri(propan-2-yl)silane is CC(C)[Si](OCCCCCB1C2CCCC1CCC2)(C(C)C)C(C)C.
What is the InChIKey of 5-(9-borabicyclo[3.3.1]nonan-9-yl)pentoxy-tri(propan-2-yl)silane?
The InChIKey is GILZRRKFHVSABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45BOSi/c1-18(2)25(19(3)4,20(5)6)24-17-9-7-8-16-23-21-12-10-13-22(23)15-11-14-21/h18-22H,7-17H2,1-6H3.
What are the key properties of 5-(9-borabicyclo[3.3.1]nonan-9-yl)pentoxy-tri(propan-2-yl)silane?
5-(9-borabicyclo[3.3.1]nonan-9-yl)pentoxy-tri(propan-2-yl)silane has a molecular weight of 364.50 g/mol, XLogP of 7.95, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-borabicyclo[3.3.1]nonan-9-yl)pentoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 102134711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).