9-hexoxy-9-borabicyclo[3.3.1]nonane

C14H27BO — CID 86146265

IUPAC9-hexoxy-9-borabicyclo[3.3.1]nonane
SMILESCCCCCCOB1C2CCCC1CCC2
InChIInChI=1S/C14H27BO/c1-2-3-4-5-12-16-15-13-8-6-9-14(15)11-7-10-13/h13-14H,2-12H2,1H3
InChIKeySJYLQXXUBWOODO-UHFFFAOYSA-N
MW222.18 g/mol
LogP4.68
Rot. Bonds6

About 9-hexoxy-9-borabicyclo[3.3.1]nonane

9-hexoxy-9-borabicyclo[3.3.1]nonane (PubChem CID 86146265) has the molecular formula C14H27BO and a molecular weight of 222.18 g/mol. Its IUPAC name is 9-hexoxy-9-borabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-hexoxy-9-borabicyclo[3.3.1]nonane
PubChem CID86146265
Molecular FormulaC14H27BO
Molecular Weight222.18 g/mol
Exact Mass222.22
IUPAC Name9-hexoxy-9-borabicyclo[3.3.1]nonane
SMILESCCCCCCOB1C2CCCC1CCC2
InChIInChI=1S/C14H27BO/c1-2-3-4-5-12-16-15-13-8-6-9-14(15)11-7-10-13/h13-14H,2-12H2,1H3
InChIKeySJYLQXXUBWOODO-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 54.68
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

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heptane;methoxymethane;methylcyclobutane
CID 168881474
heptoxycyclopropane
CID 54099544
1-heptyl-2-pentylcyclopentane
CID 102061725
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
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1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
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1-heptacosoxyheptacosane
CID 57287180

Frequently Asked Questions

What is the IUPAC name of 9-hexoxy-9-borabicyclo[3.3.1]nonane?
The IUPAC name of 9-hexoxy-9-borabicyclo[3.3.1]nonane (CID 86146265) is 9-hexoxy-9-borabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-hexoxy-9-borabicyclo[3.3.1]nonane?
The canonical SMILES for 9-hexoxy-9-borabicyclo[3.3.1]nonane is CCCCCCOB1C2CCCC1CCC2.
What is the InChIKey of 9-hexoxy-9-borabicyclo[3.3.1]nonane?
The InChIKey is SJYLQXXUBWOODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BO/c1-2-3-4-5-12-16-15-13-8-6-9-14(15)11-7-10-13/h13-14H,2-12H2,1H3.
What are the key properties of 9-hexoxy-9-borabicyclo[3.3.1]nonane?
9-hexoxy-9-borabicyclo[3.3.1]nonane has a molecular weight of 222.18 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hexoxy-9-borabicyclo[3.3.1]nonane is sourced from PubChem (CID 86146265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).