9-[10-(9-borabicyclo[3.3.1]nonan-9-yl)decyl]-9-borabicyclo[3.3.1]nonane

C26H48B2 — CID 578804

IUPAC9-[10-(9-borabicyclo[3.3.1]nonan-9-yl)decyl]-9-borabicyclo[3.3.1]nonane
SMILESC(CCCCCB1C2CCCC1CCC2)CCCCB1C2CCCC1CCC2
InChIInChI=1S/C26H48B2/c1(3-5-7-21-27-23-13-9-14-24(27)16-10-15-23)2-4-6-8-22-28-25-17-11-18-26(28)20-12-19-25/h23-26H,1-22H2
InChIKeyKEFRIVSZSKRRRL-UHFFFAOYSA-N
MW382.29 g/mol
LogP9.31
Rot. Bonds11

About 9-[10-(9-borabicyclo[3.3.1]nonan-9-yl)decyl]-9-borabicyclo[3.3.1]nonane

9-[10-(9-borabicyclo[3.3.1]nonan-9-yl)decyl]-9-borabicyclo[3.3.1]nonane (PubChem CID 578804) has the molecular formula C26H48B2 and a molecular weight of 382.29 g/mol. Its IUPAC name is 9-[10-(9-borabicyclo[3.3.1]nonan-9-yl)decyl]-9-borabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-[10-(9-borabicyclo[3.3.1]nonan-9-yl)decyl]-9-borabicyclo[3.3.1]nonane
PubChem CID578804
Molecular FormulaC26H48B2
Molecular Weight382.29 g/mol
Exact Mass382.39
IUPAC Name9-[10-(9-borabicyclo[3.3.1]nonan-9-yl)decyl]-9-borabicyclo[3.3.1]nonane
SMILESC(CCCCCB1C2CCCC1CCC2)CCCCB1C2CCCC1CCC2
InChIInChI=1S/C26H48B2/c1(3-5-7-21-27-23-13-9-14-24(27)16-10-15-23)2-4-6-8-22-28-25-17-11-18-26(28)20-12-19-25/h23-26H,1-22H2
InChIKeyKEFRIVSZSKRRRL-UHFFFAOYSA-N
XLogP9.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.29
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-[10-(9-borabicyclo[3.3.1]nonan-9-yl)decyl]-9-borabicyclo[3.3.1]nonane with MolForge

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Related Compounds

9-(5-bromopentyl)-9-borabicyclo[3.3.1]nonane
CID 11173283
9-hex-5-enyl-9-borabicyclo[3.3.1]nonane
CID 577399
9-pent-4-enyl-9-borabicyclo[3.3.1]nonane
CID 68718251
CID 20591149
CID 20591149
5-(9-borabicyclo[3.3.1]nonan-9-yl)pentoxy-tri(propan-2-yl)silane
CID 102134711
methyl 5-(9-borabicyclo[3.3.1]nonan-9-yl)pentanoate
CID 101226405
2-[6-(9-borabicyclo[3.3.1]nonan-9-yl)hexyl]-2-hexyl-1,3-dioxolane
CID 11002954
2-[14-(9-borabicyclo[3.3.1]nonan-9-yl)tetradecyl]-5-methylfuran
CID 10810886
2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl-trifluoroboranuide
CID 134963998
9-[3-(4-iodophenyl)propyl]-9-borabicyclo[3.3.1]nonane
CID 135071272
bis[2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl]-diethylsilane
CID 86230175
[5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dideuteriopentoxy]-tert-butyl-diphenylsilane
CID 11662339

Frequently Asked Questions

What is the IUPAC name of 9-[10-(9-borabicyclo[3.3.1]nonan-9-yl)decyl]-9-borabicyclo[3.3.1]nonane?
The IUPAC name of 9-[10-(9-borabicyclo[3.3.1]nonan-9-yl)decyl]-9-borabicyclo[3.3.1]nonane (CID 578804) is 9-[10-(9-borabicyclo[3.3.1]nonan-9-yl)decyl]-9-borabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-[10-(9-borabicyclo[3.3.1]nonan-9-yl)decyl]-9-borabicyclo[3.3.1]nonane?
The canonical SMILES for 9-[10-(9-borabicyclo[3.3.1]nonan-9-yl)decyl]-9-borabicyclo[3.3.1]nonane is C(CCCCCB1C2CCCC1CCC2)CCCCB1C2CCCC1CCC2.
What is the InChIKey of 9-[10-(9-borabicyclo[3.3.1]nonan-9-yl)decyl]-9-borabicyclo[3.3.1]nonane?
The InChIKey is KEFRIVSZSKRRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48B2/c1(3-5-7-21-27-23-13-9-14-24(27)16-10-15-23)2-4-6-8-22-28-25-17-11-18-26(28)20-12-19-25/h23-26H,1-22H2.
What are the key properties of 9-[10-(9-borabicyclo[3.3.1]nonan-9-yl)decyl]-9-borabicyclo[3.3.1]nonane?
9-[10-(9-borabicyclo[3.3.1]nonan-9-yl)decyl]-9-borabicyclo[3.3.1]nonane has a molecular weight of 382.29 g/mol, XLogP of 9.31, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[10-(9-borabicyclo[3.3.1]nonan-9-yl)decyl]-9-borabicyclo[3.3.1]nonane is sourced from PubChem (CID 578804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).